Context Navigation

solved_double_sles.data@ aadea2

Visit:

Last change on this file since aadea2 was aadea2, checked in by Frederik Heber <heber@…>, 11 years ago
tempcommit: TremoloParser seems to remember true atom and segment names now and places them in output files ...
Property mode set to `100644`
File size: 63.4 KB

Line
1	# ATOMDATA Id name resName chainID x=3 type neighbors=4 charge
2	# Box 14.199 0 0 0 21.6216 0 0 0 33.9159
3	1 NA SLES 1 8.8536 11.6216 5.1044 NA 0 0 0 0 1
4	2 S SLES 1 6.8086 8.7147 5.9519 SL 3 4 5 6 1.33
5	3 OS1 SLES 1 7.6774 9.6177 7.0641 OSL 2 7 0 0 -0.28
6	4 OS2 SLES 1 5.9054 9.6361 5.2941 O2L 2 0 0 0 -0.65
7	5 OS3 SLES 1 7.7756 8.2093 5 O2L 2 0 0 0 -0.65
8	6 OS4 SLES 1 6.0573 7.6106 6.5273 O2L 2 0 0 0 -0.65
9	7 C2 SLES 1 7.3282 9.2021 8.4518 CC32A 3 8 9 10 -0.11
10	8 H2A SLES 1 6.2178 9.2763 8.621 HCA2 7 0 0 0 0.09
11	9 H2B SLES 1 7.6482 8.133 8.5957 HCA2 7 0 0 0 0.09
12	10 C1 SLES 1 8.0977 10.1424 9.4959 CC32A 7 11 12 13 -0.01
13	11 H1B SLES 1 7.8501 11.2106 9.2979 HCA2 10 0 0 0 0.09
14	12 H1A SLES 1 9.199 10.0033 9.3916 HCA2 10 0 0 0 0.09
15	13 O1 SLES 1 7.8467 10.0035 10.9435 OC30A 10 14 0 0 -0.34
16	14 C2 SLES 1 7.2308 8.7724 11.3767 CC32A 13 15 16 17 -0.01
17	15 H2A SLES 1 6.2661 8.7996 10.8332 HCA2 14 0 0 0 0.09
18	16 H2B SLES 1 7.8837 8.0007 10.9102 HCA2 14 0 0 0 0.09
19	17 C1 SLES 1 6.9747 8.4076 12.8729 CC32A 14 18 19 20 -0.01
20	18 H1B SLES 1 5.9645 8.7585 13.1769 HCA2 17 0 0 0 0.09
21	19 H1A SLES 1 7.0195 7.3067 12.9939 HCA2 17 0 0 0 0.09
22	20 O1 SLES 1 7.7714 8.9429 13.9781 OC30A 17 21 0 0 -0.34
23	21 C1 SLES 1 7.8871 8.0556 15.15 CTL2 20 22 23 24 -0.18
24	22 H11 SLES 1 7.169 7.2284 15.0046 HAL2 21 0 0 0 0.09
25	23 H12 SLES 1 8.916 7.6603 15.0222 HAL2 21 0 0 0 0.09
26	24 C2 SLES 1 7.7199 8.6535 16.6029 CTL2 21 25 26 27 -0.18
27	25 H21 SLES 1 7.4833 9.7383 16.5257 HAL2 24 0 0 0 0.09
28	26 H22 SLES 1 8.6832 8.5511 17.1489 HAL2 24 0 0 0 0.09
29	27 C3 SLES 1 6.5603 7.9224 17.4392 CTL2 24 28 29 30 -0.18
30	28 H31 SLES 1 5.6644 8.5819 17.4671 HAL2 27 0 0 0 0.09
31	29 H32 SLES 1 6.2764 6.9853 16.9201 HAL2 27 0 0 0 0.09
32	30 C4 SLES 1 6.9911 7.5773 18.9249 CTL2 27 31 32 33 -0.18
33	31 H41 SLES 1 6.5412 8.3237 19.6124 HAL2 30 0 0 0 0.09
34	32 H42 SLES 1 8.0963 7.6544 19.0117 HAL2 30 0 0 0 0.09
35	33 C5 SLES 1 6.5369 6.1149 19.3723 CTL2 30 34 35 36 -0.18
36	34 H51 SLES 1 5.7382 5.7569 18.6858 HAL2 33 0 0 0 0.09
37	35 H52 SLES 1 7.404 5.4217 19.2794 HAL2 33 0 0 0 0.09
38	36 C6 SLES 1 5.9977 6.0654 20.8515 CTL2 33 37 38 39 -0.18
39	37 H61 SLES 1 5 6.5575 20.8906 HAL2 36 0 0 0 0.09
40	38 H62 SLES 1 5.8667 5 21.1536 HAL2 36 0 0 0 0.09
41	39 C7 SLES 1 6.9524 6.7681 21.8678 CTL2 36 40 41 42 -0.18
42	40 H71 SLES 1 6.7767 7.8661 21.831 HAL2 39 0 0 0 0.09
43	41 H72 SLES 1 8.007 6.5788 21.5672 HAL2 39 0 0 0 0.09
44	42 C8 SLES 1 6.7452 6.2738 23.3211 CTL2 39 43 44 45 -0.18
45	43 H81 SLES 1 5.6542 6.2507 23.5459 HAL2 42 0 0 0 0.09
46	44 H82 SLES 1 7.1373 5.2352 23.4116 HAL2 42 0 0 0 0.09
47	45 C9 SLES 1 7.4571 7.176 24.3602 CTL2 42 46 47 48 -0.18
48	46 H91 SLES 1 7.086 8.2202 24.2491 HAL2 45 0 0 0 0.09
49	47 H92 SLES 1 8.5507 7.1762 24.1518 HAL2 45 0 0 0 0.09
50	48 C10 SLES 1 7.2208 6.7092 25.8161 CTL2 45 49 50 51 -0.18
51	49 H10 SLES 1 6.1283 6.7313 26.0323 HAL2 48 0 0 0 0.09
52	50 H10 SLES 1 7.5713 5.6576 25.9222 HAL2 48 0 0 0 0.09
53	51 C11 SLES 1 7.9602 7.5968 26.8521 CTL2 48 52 53 54 -0.18
54	52 H11 SLES 1 7.6013 8.6462 26.7466 HAL2 51 0 0 0 0.09
55	53 H11 SLES 1 9.0499 7.586 26.6209 HAL2 51 0 0 0 0.09
56	54 C12 SLES 1 7.7565 7.1444 28.3212 CTL3 51 55 56 57 -0.27
57	55 H12 SLES 1 7.2902 7.9606 28.9159 HAL3 54 0 0 0 0.09
58	56 H12 SLES 1 8.7336 6.8825 28.784 HAL3 54 0 0 0 0.09
59	57 H12 SLES 1 7.0942 6.2524 28.3633 HAL3 54 0 0 0 0.09
60	58 NA SLES 1 8.8536 16.6216 5.1044 NA 0 0 0 0 1
61	59 S SLES 1 6.8086 13.7147 5.9519 SL 60 61 62 63 1.33
62	60 OS1 SLES 1 7.6774 14.6177 7.0641 OSL 59 64 0 0 -0.28
63	61 OS2 SLES 1 5.9054 14.6361 5.2941 O2L 59 0 0 0 -0.65
64	62 OS3 SLES 1 7.7756 13.2093 5 O2L 59 0 0 0 -0.65
65	63 OS4 SLES 1 6.0573 12.6106 6.5273 O2L 59 0 0 0 -0.65
66	64 C2 SLES 1 7.3282 14.2021 8.4518 CC32A 60 65 66 67 -0.11
67	65 H2A SLES 1 6.2178 14.2763 8.621 HCA2 64 0 0 0 0.09
68	66 H2B SLES 1 7.6482 13.133 8.5957 HCA2 64 0 0 0 0.09
69	67 C1 SLES 1 8.0977 15.1424 9.4959 CC32A 64 68 69 70 -0.01
70	68 H1B SLES 1 7.8501 16.2106 9.2979 HCA2 67 0 0 0 0.09
71	69 H1A SLES 1 9.199 15.0033 9.3916 HCA2 67 0 0 0 0.09
72	70 O1 SLES 1 7.8467 15.0035 10.9435 OC30A 67 71 0 0 -0.34
73	71 C2 SLES 1 7.2308 13.7724 11.3767 CC32A 70 72 73 74 -0.01
74	72 H2A SLES 1 6.2661 13.7996 10.8332 HCA2 71 0 0 0 0.09
75	73 H2B SLES 1 7.8837 13.0007 10.9102 HCA2 71 0 0 0 0.09
76	74 C1 SLES 1 6.9747 13.4076 12.8729 CC32A 71 75 76 77 -0.01
77	75 H1B SLES 1 5.9645 13.7585 13.1769 HCA2 74 0 0 0 0.09
78	76 H1A SLES 1 7.0195 12.3067 12.9939 HCA2 74 0 0 0 0.09
79	77 O1 SLES 1 7.7714 13.9429 13.9781 OC30A 74 78 0 0 -0.34
80	78 C1 SLES 1 7.8871 13.0556 15.15 CTL2 77 79 80 81 -0.18
81	79 H11 SLES 1 7.169 12.2284 15.0046 HAL2 78 0 0 0 0.09
82	80 H12 SLES 1 8.916 12.6603 15.0222 HAL2 78 0 0 0 0.09
83	81 C2 SLES 1 7.7199 13.6535 16.6029 CTL2 78 82 83 84 -0.18
84	82 H21 SLES 1 7.4833 14.7383 16.5257 HAL2 81 0 0 0 0.09
85	83 H22 SLES 1 8.6832 13.5511 17.1489 HAL2 81 0 0 0 0.09
86	84 C3 SLES 1 6.5603 12.9224 17.4392 CTL2 81 85 86 87 -0.18
87	85 H31 SLES 1 5.6644 13.5819 17.4671 HAL2 84 0 0 0 0.09
88	86 H32 SLES 1 6.2764 11.9853 16.9201 HAL2 84 0 0 0 0.09
89	87 C4 SLES 1 6.9911 12.5773 18.9249 CTL2 84 88 89 90 -0.18
90	88 H41 SLES 1 6.5412 13.3237 19.6124 HAL2 87 0 0 0 0.09
91	89 H42 SLES 1 8.0963 12.6544 19.0117 HAL2 87 0 0 0 0.09
92	90 C5 SLES 1 6.5369 11.1149 19.3723 CTL2 87 91 92 93 -0.18
93	91 H51 SLES 1 5.7382 10.7569 18.6858 HAL2 90 0 0 0 0.09
94	92 H52 SLES 1 7.404 10.4217 19.2794 HAL2 90 0 0 0 0.09
95	93 C6 SLES 1 5.9977 11.0654 20.8515 CTL2 90 94 95 96 -0.18
96	94 H61 SLES 1 5 11.5575 20.8906 HAL2 93 0 0 0 0.09
97	95 H62 SLES 1 5.8667 10 21.1536 HAL2 93 0 0 0 0.09
98	96 C7 SLES 1 6.9524 11.7681 21.8678 CTL2 93 97 98 99 -0.18
99	97 H71 SLES 1 6.7767 12.8661 21.831 HAL2 96 0 0 0 0.09
100	98 H72 SLES 1 8.007 11.5788 21.5672 HAL2 96 0 0 0 0.09
101	99 C8 SLES 1 6.7452 11.2738 23.3211 CTL2 96 100 101 102 -0.18
102	100 H81 SLES 1 5.6542 11.2507 23.5459 HAL2 99 0 0 0 0.09
103	101 H82 SLES 1 7.1373 10.2352 23.4116 HAL2 99 0 0 0 0.09
104	102 C9 SLES 1 7.4571 12.176 24.3602 CTL2 99 103 104 105 -0.18
105	103 H91 SLES 1 7.086 13.2202 24.2491 HAL2 102 0 0 0 0.09
106	104 H92 SLES 1 8.5507 12.1762 24.1518 HAL2 102 0 0 0 0.09
107	105 C10 SLES 1 7.2208 11.7092 25.8161 CTL2 102 106 107 108 -0.18
108	106 H10 SLES 1 6.1283 11.7313 26.0323 HAL2 105 0 0 0 0.09
109	107 H10 SLES 1 7.5713 10.6576 25.9222 HAL2 105 0 0 0 0.09
110	108 C11 SLES 1 7.9602 12.5968 26.8521 CTL2 105 109 110 111 -0.18
111	109 H11 SLES 1 7.6013 13.6462 26.7466 HAL2 108 0 0 0 0.09
112	110 H11 SLES 1 9.0499 12.586 26.6209 HAL2 108 0 0 0 0.09
113	111 C12 SLES 1 7.7565 12.1444 28.3212 CTL3 108 112 113 114 -0.27
114	112 H12 SLES 1 7.2902 12.9606 28.9159 HAL3 111 0 0 0 0.09
115	113 H12 SLES 1 8.7336 11.8825 28.784 HAL3 111 0 0 0 0.09
116	114 H12 SLES 1 7.0942 11.2524 28.3633 HAL3 111 0 0 0 0.09
117	115 OW TIP3 0 1.4199 1.5444 1.54163 OW 116 117 0 0 -0.834
118	116 HW TIP3 0 2.1789 1.5444 2.04563 HW 115 0 0 0 0.417
119	117 HW TIP3 0 2.1789 1.5444 1.03763 HW 115 0 0 0 0.417
120	118 - - 0 1.4199 1.5444 4.6249 O 119 120 0 0 -0.834
121	119 - - 0 2.1789 1.5444 5.1289 H 118 0 0 0 0.417
122	120 - - 0 2.1789 1.5444 4.1209 H 118 0 0 0 0.417
123	121 - - 0 1.4199 1.5444 7.70816 O 122 123 0 0 -0.834
124	122 - - 0 2.1789 1.5444 8.21216 H 121 0 0 0 0.417
125	123 - - 0 2.1789 1.5444 7.20416 H 121 0 0 0 0.417
126	124 - - 0 1.4199 1.5444 10.7914 O 125 126 0 0 -0.834
127	125 - - 0 2.1789 1.5444 11.2954 H 124 0 0 0 0.417
128	126 - - 0 2.1789 1.5444 10.2874 H 124 0 0 0 0.417
129	127 - - 0 1.4199 1.5444 13.8747 O 128 129 0 0 -0.834
130	128 - - 0 2.1789 1.5444 14.3787 H 127 0 0 0 0.417
131	129 - - 0 2.1789 1.5444 13.3707 H 127 0 0 0 0.417
132	130 - - 0 1.4199 1.5444 16.958 O 131 132 0 0 -0.834
133	131 - - 0 2.1789 1.5444 17.4619 H 130 0 0 0 0.417
134	132 - - 0 2.1789 1.5444 16.454 H 130 0 0 0 0.417
135	133 - - 0 1.4199 1.5444 20.0412 O 134 135 0 0 -0.834
136	134 - - 0 2.1789 1.5444 20.5452 H 133 0 0 0 0.417
137	135 - - 0 2.1789 1.5444 19.5372 H 133 0 0 0 0.417
138	136 - - 0 1.4199 1.5444 23.1245 O 137 138 0 0 -0.834
139	137 - - 0 2.1789 1.5444 23.6285 H 136 0 0 0 0.417
140	138 - - 0 2.1789 1.5444 22.6205 H 136 0 0 0 0.417
141	139 - - 0 1.4199 1.5444 26.2077 O 140 141 0 0 -0.834
142	140 - - 0 2.1789 1.5444 26.7117 H 139 0 0 0 0.417
143	141 - - 0 2.1789 1.5444 25.7037 H 139 0 0 0 0.417
144	142 - - 0 1.4199 1.5444 29.291 O 143 144 0 0 -0.834
145	143 - - 0 2.1789 1.5444 29.795 H 142 0 0 0 0.417
146	144 - - 0 2.1789 1.5444 28.787 H 142 0 0 0 0.417
147	145 - - 0 1.4199 1.5444 32.3743 O 146 147 0 0 -0.834
148	146 - - 0 2.1789 1.5444 32.8783 H 145 0 0 0 0.417
149	147 - - 0 2.1789 1.5444 31.8703 H 145 0 0 0 0.417
150	148 - - 0 1.4199 4.6332 1.54163 O 149 150 0 0 -0.834
151	149 - - 0 2.1789 4.6332 2.04563 H 148 0 0 0 0.417
152	150 - - 0 2.1789 4.6332 1.03763 H 148 0 0 0 0.417
153	151 - - 0 1.4199 4.6332 4.6249 O 152 153 0 0 -0.834
154	152 - - 0 2.1789 4.6332 5.1289 H 151 0 0 0 0.417
155	153 - - 0 2.1789 4.6332 4.1209 H 151 0 0 0 0.417
156	154 - - 0 1.4199 4.6332 7.70816 O 155 156 0 0 -0.834
157	155 - - 0 2.1789 4.6332 8.21216 H 154 0 0 0 0.417
158	156 - - 0 2.1789 4.6332 7.20416 H 154 0 0 0 0.417
159	157 - - 0 1.4199 4.6332 10.7914 O 158 159 0 0 -0.834
160	158 - - 0 2.1789 4.6332 11.2954 H 157 0 0 0 0.417
161	159 - - 0 2.1789 4.6332 10.2874 H 157 0 0 0 0.417
162	160 - - 0 1.4199 4.6332 13.8747 O 161 162 0 0 -0.834
163	161 - - 0 2.1789 4.6332 14.3787 H 160 0 0 0 0.417
164	162 - - 0 2.1789 4.6332 13.3707 H 160 0 0 0 0.417
165	163 - - 0 1.4199 4.6332 16.958 O 164 165 0 0 -0.834
166	164 - - 0 2.1789 4.6332 17.4619 H 163 0 0 0 0.417
167	165 - - 0 2.1789 4.6332 16.454 H 163 0 0 0 0.417
168	166 - - 0 1.4199 4.6332 20.0412 O 167 168 0 0 -0.834
169	167 - - 0 2.1789 4.6332 20.5452 H 166 0 0 0 0.417
170	168 - - 0 2.1789 4.6332 19.5372 H 166 0 0 0 0.417
171	169 - - 0 1.4199 4.6332 23.1245 O 170 171 0 0 -0.834
172	170 - - 0 2.1789 4.6332 23.6285 H 169 0 0 0 0.417
173	171 - - 0 2.1789 4.6332 22.6205 H 169 0 0 0 0.417
174	172 - - 0 1.4199 4.6332 26.2077 O 173 174 0 0 -0.834
175	173 - - 0 2.1789 4.6332 26.7117 H 172 0 0 0 0.417
176	174 - - 0 2.1789 4.6332 25.7037 H 172 0 0 0 0.417
177	175 - - 0 1.4199 4.6332 29.291 O 176 177 0 0 -0.834
178	176 - - 0 2.1789 4.6332 29.795 H 175 0 0 0 0.417
179	177 - - 0 2.1789 4.6332 28.787 H 175 0 0 0 0.417
180	178 - - 0 1.4199 4.6332 32.3743 O 179 180 0 0 -0.834
181	179 - - 0 2.1789 4.6332 32.8783 H 178 0 0 0 0.417
182	180 - - 0 2.1789 4.6332 31.8703 H 178 0 0 0 0.417
183	181 - - 0 1.4199 7.722 1.54163 O 182 183 0 0 -0.834
184	182 - - 0 2.1789 7.722 2.04563 H 181 0 0 0 0.417
185	183 - - 0 2.1789 7.722 1.03763 H 181 0 0 0 0.417
186	184 - - 0 1.4199 7.722 4.6249 O 185 186 0 0 -0.834
187	185 - - 0 2.1789 7.722 5.1289 H 184 0 0 0 0.417
188	186 - - 0 2.1789 7.722 4.1209 H 184 0 0 0 0.417
189	187 - - 0 1.4199 7.722 7.70816 O 188 189 0 0 -0.834
190	188 - - 0 2.1789 7.722 8.21216 H 187 0 0 0 0.417
191	189 - - 0 2.1789 7.722 7.20416 H 187 0 0 0 0.417
192	190 - - 0 1.4199 7.722 10.7914 O 191 192 0 0 -0.834
193	191 - - 0 2.1789 7.722 11.2954 H 190 0 0 0 0.417
194	192 - - 0 2.1789 7.722 10.2874 H 190 0 0 0 0.417
195	193 - - 0 1.4199 7.722 13.8747 O 194 195 0 0 -0.834
196	194 - - 0 2.1789 7.722 14.3787 H 193 0 0 0 0.417
197	195 - - 0 2.1789 7.722 13.3707 H 193 0 0 0 0.417
198	196 - - 0 1.4199 7.722 16.958 O 197 198 0 0 -0.834
199	197 - - 0 2.1789 7.722 17.4619 H 196 0 0 0 0.417
200	198 - - 0 2.1789 7.722 16.454 H 196 0 0 0 0.417
201	199 - - 0 1.4199 7.722 20.0412 O 200 201 0 0 -0.834
202	200 - - 0 2.1789 7.722 20.5452 H 199 0 0 0 0.417
203	201 - - 0 2.1789 7.722 19.5372 H 199 0 0 0 0.417
204	202 - - 0 1.4199 7.722 23.1245 O 203 204 0 0 -0.834
205	203 - - 0 2.1789 7.722 23.6285 H 202 0 0 0 0.417
206	204 - - 0 2.1789 7.722 22.6205 H 202 0 0 0 0.417
207	205 - - 0 1.4199 7.722 26.2077 O 206 207 0 0 -0.834
208	206 - - 0 2.1789 7.722 26.7117 H 205 0 0 0 0.417
209	207 - - 0 2.1789 7.722 25.7037 H 205 0 0 0 0.417
210	208 - - 0 1.4199 7.722 29.291 O 209 210 0 0 -0.834
211	209 - - 0 2.1789 7.722 29.795 H 208 0 0 0 0.417
212	210 - - 0 2.1789 7.722 28.787 H 208 0 0 0 0.417
213	211 - - 0 1.4199 7.722 32.3743 O 212 213 0 0 -0.834
214	212 - - 0 2.1789 7.722 32.8783 H 211 0 0 0 0.417
215	213 - - 0 2.1789 7.722 31.8703 H 211 0 0 0 0.417
216	214 - - 0 1.4199 10.8108 1.54163 O 215 216 0 0 -0.834
217	215 - - 0 2.1789 10.8108 2.04563 H 214 0 0 0 0.417
218	216 - - 0 2.1789 10.8108 1.03763 H 214 0 0 0 0.417
219	217 - - 0 1.4199 10.8108 4.6249 O 218 219 0 0 -0.834
220	218 - - 0 2.1789 10.8108 5.1289 H 217 0 0 0 0.417
221	219 - - 0 2.1789 10.8108 4.1209 H 217 0 0 0 0.417
222	220 - - 0 1.4199 10.8108 7.70816 O 221 222 0 0 -0.834
223	221 - - 0 2.1789 10.8108 8.21216 H 220 0 0 0 0.417
224	222 - - 0 2.1789 10.8108 7.20416 H 220 0 0 0 0.417
225	223 - - 0 1.4199 10.8108 10.7914 O 224 225 0 0 -0.834
226	224 - - 0 2.1789 10.8108 11.2954 H 223 0 0 0 0.417
227	225 - - 0 2.1789 10.8108 10.2874 H 223 0 0 0 0.417
228	226 - - 0 1.4199 10.8108 13.8747 O 227 228 0 0 -0.834
229	227 - - 0 2.1789 10.8108 14.3787 H 226 0 0 0 0.417
230	228 - - 0 2.1789 10.8108 13.3707 H 226 0 0 0 0.417
231	229 - - 0 1.4199 10.8108 16.958 O 230 231 0 0 -0.834
232	230 - - 0 2.1789 10.8108 17.4619 H 229 0 0 0 0.417
233	231 - - 0 2.1789 10.8108 16.454 H 229 0 0 0 0.417
234	232 - - 0 1.4199 10.8108 20.0412 O 233 234 0 0 -0.834
235	233 - - 0 2.1789 10.8108 20.5452 H 232 0 0 0 0.417
236	234 - - 0 2.1789 10.8108 19.5372 H 232 0 0 0 0.417
237	235 - - 0 1.4199 10.8108 23.1245 O 236 237 0 0 -0.834
238	236 - - 0 2.1789 10.8108 23.6285 H 235 0 0 0 0.417
239	237 - - 0 2.1789 10.8108 22.6205 H 235 0 0 0 0.417
240	238 - - 0 1.4199 10.8108 26.2077 O 239 240 0 0 -0.834
241	239 - - 0 2.1789 10.8108 26.7117 H 238 0 0 0 0.417
242	240 - - 0 2.1789 10.8108 25.7037 H 238 0 0 0 0.417
243	241 - - 0 1.4199 10.8108 29.291 O 242 243 0 0 -0.834
244	242 - - 0 2.1789 10.8108 29.795 H 241 0 0 0 0.417
245	243 - - 0 2.1789 10.8108 28.787 H 241 0 0 0 0.417
246	244 - - 0 1.4199 10.8108 32.3743 O 245 246 0 0 -0.834
247	245 - - 0 2.1789 10.8108 32.8783 H 244 0 0 0 0.417
248	246 - - 0 2.1789 10.8108 31.8703 H 244 0 0 0 0.417
249	247 - - 0 1.4199 13.8996 1.54163 O 248 249 0 0 -0.834
250	248 - - 0 2.1789 13.8996 2.04563 H 247 0 0 0 0.417
251	249 - - 0 2.1789 13.8996 1.03763 H 247 0 0 0 0.417
252	250 - - 0 1.4199 13.8996 4.6249 O 251 252 0 0 -0.834
253	251 - - 0 2.1789 13.8996 5.1289 H 250 0 0 0 0.417
254	252 - - 0 2.1789 13.8996 4.1209 H 250 0 0 0 0.417
255	253 - - 0 1.4199 13.8996 7.70816 O 254 255 0 0 -0.834
256	254 - - 0 2.1789 13.8996 8.21216 H 253 0 0 0 0.417
257	255 - - 0 2.1789 13.8996 7.20416 H 253 0 0 0 0.417
258	256 - - 0 1.4199 13.8996 10.7914 O 257 258 0 0 -0.834
259	257 - - 0 2.1789 13.8996 11.2954 H 256 0 0 0 0.417
260	258 - - 0 2.1789 13.8996 10.2874 H 256 0 0 0 0.417
261	259 - - 0 1.4199 13.8996 13.8747 O 260 261 0 0 -0.834
262	260 - - 0 2.1789 13.8996 14.3787 H 259 0 0 0 0.417
263	261 - - 0 2.1789 13.8996 13.3707 H 259 0 0 0 0.417
264	262 - - 0 1.4199 13.8996 16.958 O 263 264 0 0 -0.834
265	263 - - 0 2.1789 13.8996 17.4619 H 262 0 0 0 0.417
266	264 - - 0 2.1789 13.8996 16.454 H 262 0 0 0 0.417
267	265 - - 0 1.4199 13.8996 20.0412 O 266 267 0 0 -0.834
268	266 - - 0 2.1789 13.8996 20.5452 H 265 0 0 0 0.417
269	267 - - 0 2.1789 13.8996 19.5372 H 265 0 0 0 0.417
270	268 - - 0 1.4199 13.8996 23.1245 O 269 270 0 0 -0.834
271	269 - - 0 2.1789 13.8996 23.6285 H 268 0 0 0 0.417
272	270 - - 0 2.1789 13.8996 22.6205 H 268 0 0 0 0.417
273	271 - - 0 1.4199 13.8996 26.2077 O 272 273 0 0 -0.834
274	272 - - 0 2.1789 13.8996 26.7117 H 271 0 0 0 0.417
275	273 - - 0 2.1789 13.8996 25.7037 H 271 0 0 0 0.417
276	274 - - 0 1.4199 13.8996 29.291 O 275 276 0 0 -0.834
277	275 - - 0 2.1789 13.8996 29.795 H 274 0 0 0 0.417
278	276 - - 0 2.1789 13.8996 28.787 H 274 0 0 0 0.417
279	277 - - 0 1.4199 13.8996 32.3743 O 278 279 0 0 -0.834
280	278 - - 0 2.1789 13.8996 32.8783 H 277 0 0 0 0.417
281	279 - - 0 2.1789 13.8996 31.8703 H 277 0 0 0 0.417
282	280 - - 0 1.4199 16.9884 1.54163 O 281 282 0 0 -0.834
283	281 - - 0 2.1789 16.9884 2.04563 H 280 0 0 0 0.417
284	282 - - 0 2.1789 16.9884 1.03763 H 280 0 0 0 0.417
285	283 - - 0 1.4199 16.9884 4.6249 O 284 285 0 0 -0.834
286	284 - - 0 2.1789 16.9884 5.1289 H 283 0 0 0 0.417
287	285 - - 0 2.1789 16.9884 4.1209 H 283 0 0 0 0.417
288	286 - - 0 1.4199 16.9884 7.70816 O 287 288 0 0 -0.834
289	287 - - 0 2.1789 16.9884 8.21216 H 286 0 0 0 0.417
290	288 - - 0 2.1789 16.9884 7.20416 H 286 0 0 0 0.417
291	289 - - 0 1.4199 16.9884 10.7914 O 290 291 0 0 -0.834
292	290 - - 0 2.1789 16.9884 11.2954 H 289 0 0 0 0.417
293	291 - - 0 2.1789 16.9884 10.2874 H 289 0 0 0 0.417
294	292 - - 0 1.4199 16.9884 13.8747 O 293 294 0 0 -0.834
295	293 - - 0 2.1789 16.9884 14.3787 H 292 0 0 0 0.417
296	294 - - 0 2.1789 16.9884 13.3707 H 292 0 0 0 0.417
297	295 - - 0 1.4199 16.9884 16.958 O 296 297 0 0 -0.834
298	296 - - 0 2.1789 16.9884 17.4619 H 295 0 0 0 0.417
299	297 - - 0 2.1789 16.9884 16.454 H 295 0 0 0 0.417
300	298 - - 0 1.4199 16.9884 20.0412 O 299 300 0 0 -0.834
301	299 - - 0 2.1789 16.9884 20.5452 H 298 0 0 0 0.417
302	300 - - 0 2.1789 16.9884 19.5372 H 298 0 0 0 0.417
303	301 - - 0 1.4199 16.9884 23.1245 O 302 303 0 0 -0.834
304	302 - - 0 2.1789 16.9884 23.6285 H 301 0 0 0 0.417
305	303 - - 0 2.1789 16.9884 22.6205 H 301 0 0 0 0.417
306	304 - - 0 1.4199 16.9884 26.2077 O 305 306 0 0 -0.834
307	305 - - 0 2.1789 16.9884 26.7117 H 304 0 0 0 0.417
308	306 - - 0 2.1789 16.9884 25.7037 H 304 0 0 0 0.417
309	307 - - 0 1.4199 16.9884 29.291 O 308 309 0 0 -0.834
310	308 - - 0 2.1789 16.9884 29.795 H 307 0 0 0 0.417
311	309 - - 0 2.1789 16.9884 28.787 H 307 0 0 0 0.417
312	310 - - 0 1.4199 16.9884 32.3743 O 311 312 0 0 -0.834
313	311 - - 0 2.1789 16.9884 32.8783 H 310 0 0 0 0.417
314	312 - - 0 2.1789 16.9884 31.8703 H 310 0 0 0 0.417
315	313 - - 0 1.4199 20.0772 1.54163 O 314 315 0 0 -0.834
316	314 - - 0 2.1789 20.0772 2.04563 H 313 0 0 0 0.417
317	315 - - 0 2.1789 20.0772 1.03763 H 313 0 0 0 0.417
318	316 - - 0 1.4199 20.0772 4.6249 O 317 318 0 0 -0.834
319	317 - - 0 2.1789 20.0772 5.1289 H 316 0 0 0 0.417
320	318 - - 0 2.1789 20.0772 4.1209 H 316 0 0 0 0.417
321	319 - - 0 1.4199 20.0772 7.70816 O 320 321 0 0 -0.834
322	320 - - 0 2.1789 20.0772 8.21216 H 319 0 0 0 0.417
323	321 - - 0 2.1789 20.0772 7.20416 H 319 0 0 0 0.417
324	322 - - 0 1.4199 20.0772 10.7914 O 323 324 0 0 -0.834
325	323 - - 0 2.1789 20.0772 11.2954 H 322 0 0 0 0.417
326	324 - - 0 2.1789 20.0772 10.2874 H 322 0 0 0 0.417
327	325 - - 0 1.4199 20.0772 13.8747 O 326 327 0 0 -0.834
328	326 - - 0 2.1789 20.0772 14.3787 H 325 0 0 0 0.417
329	327 - - 0 2.1789 20.0772 13.3707 H 325 0 0 0 0.417
330	328 - - 0 1.4199 20.0772 16.958 O 329 330 0 0 -0.834
331	329 - - 0 2.1789 20.0772 17.4619 H 328 0 0 0 0.417
332	330 - - 0 2.1789 20.0772 16.454 H 328 0 0 0 0.417
333	331 - - 0 1.4199 20.0772 20.0412 O 332 333 0 0 -0.834
334	332 - - 0 2.1789 20.0772 20.5452 H 331 0 0 0 0.417
335	333 - - 0 2.1789 20.0772 19.5372 H 331 0 0 0 0.417
336	334 - - 0 1.4199 20.0772 23.1245 O 335 336 0 0 -0.834
337	335 - - 0 2.1789 20.0772 23.6285 H 334 0 0 0 0.417
338	336 - - 0 2.1789 20.0772 22.6205 H 334 0 0 0 0.417
339	337 - - 0 1.4199 20.0772 26.2077 O 338 339 0 0 -0.834
340	338 - - 0 2.1789 20.0772 26.7117 H 337 0 0 0 0.417
341	339 - - 0 2.1789 20.0772 25.7037 H 337 0 0 0 0.417
342	340 - - 0 1.4199 20.0772 29.291 O 341 342 0 0 -0.834
343	341 - - 0 2.1789 20.0772 29.795 H 340 0 0 0 0.417
344	342 - - 0 2.1789 20.0772 28.787 H 340 0 0 0 0.417
345	343 - - 0 1.4199 20.0772 32.3743 O 344 345 0 0 -0.834
346	344 - - 0 2.1789 20.0772 32.8783 H 343 0 0 0 0.417
347	345 - - 0 2.1789 20.0772 31.8703 H 343 0 0 0 0.417
348	346 - - 0 4.2597 1.5444 1.54163 O 347 348 0 0 -0.834
349	347 - - 0 5.0187 1.5444 2.04563 H 346 0 0 0 0.417
350	348 - - 0 5.0187 1.5444 1.03763 H 346 0 0 0 0.417
351	349 - - 0 4.2597 1.5444 4.6249 O 350 351 0 0 -0.834
352	350 - - 0 5.0187 1.5444 5.1289 H 349 0 0 0 0.417
353	351 - - 0 5.0187 1.5444 4.1209 H 349 0 0 0 0.417
354	352 - - 0 4.2597 1.5444 7.70816 O 353 354 0 0 -0.834
355	353 - - 0 5.0187 1.5444 8.21216 H 352 0 0 0 0.417
356	354 - - 0 5.0187 1.5444 7.20416 H 352 0 0 0 0.417
357	355 - - 0 4.2597 1.5444 10.7914 O 356 357 0 0 -0.834
358	356 - - 0 5.0187 1.5444 11.2954 H 355 0 0 0 0.417
359	357 - - 0 5.0187 1.5444 10.2874 H 355 0 0 0 0.417
360	358 - - 0 4.2597 1.5444 13.8747 O 359 360 0 0 -0.834
361	359 - - 0 5.0187 1.5444 14.3787 H 358 0 0 0 0.417
362	360 - - 0 5.0187 1.5444 13.3707 H 358 0 0 0 0.417
363	361 - - 0 4.2597 1.5444 16.958 O 362 363 0 0 -0.834
364	362 - - 0 5.0187 1.5444 17.4619 H 361 0 0 0 0.417
365	363 - - 0 5.0187 1.5444 16.454 H 361 0 0 0 0.417
366	364 - - 0 4.2597 1.5444 20.0412 O 365 366 0 0 -0.834
367	365 - - 0 5.0187 1.5444 20.5452 H 364 0 0 0 0.417
368	366 - - 0 5.0187 1.5444 19.5372 H 364 0 0 0 0.417
369	367 - - 0 4.2597 1.5444 23.1245 O 368 369 0 0 -0.834
370	368 - - 0 5.0187 1.5444 23.6285 H 367 0 0 0 0.417
371	369 - - 0 5.0187 1.5444 22.6205 H 367 0 0 0 0.417
372	370 - - 0 4.2597 1.5444 26.2077 O 371 372 0 0 -0.834
373	371 - - 0 5.0187 1.5444 26.7117 H 370 0 0 0 0.417
374	372 - - 0 5.0187 1.5444 25.7037 H 370 0 0 0 0.417
375	373 - - 0 4.2597 1.5444 29.291 O 374 375 0 0 -0.834
376	374 - - 0 5.0187 1.5444 29.795 H 373 0 0 0 0.417
377	375 - - 0 5.0187 1.5444 28.787 H 373 0 0 0 0.417
378	376 - - 0 4.2597 1.5444 32.3743 O 377 378 0 0 -0.834
379	377 - - 0 5.0187 1.5444 32.8783 H 376 0 0 0 0.417
380	378 - - 0 5.0187 1.5444 31.8703 H 376 0 0 0 0.417
381	379 - - 0 4.2597 4.6332 1.54163 O 380 381 0 0 -0.834
382	380 - - 0 5.0187 4.6332 2.04563 H 379 0 0 0 0.417
383	381 - - 0 5.0187 4.6332 1.03763 H 379 0 0 0 0.417
384	382 - - 0 4.2597 4.6332 4.6249 O 383 384 0 0 -0.834
385	383 - - 0 5.0187 4.6332 5.1289 H 382 0 0 0 0.417
386	384 - - 0 5.0187 4.6332 4.1209 H 382 0 0 0 0.417
387	385 - - 0 4.2597 4.6332 7.70816 O 386 387 0 0 -0.834
388	386 - - 0 5.0187 4.6332 8.21216 H 385 0 0 0 0.417
389	387 - - 0 5.0187 4.6332 7.20416 H 385 0 0 0 0.417
390	388 - - 0 4.2597 4.6332 10.7914 O 389 390 0 0 -0.834
391	389 - - 0 5.0187 4.6332 11.2954 H 388 0 0 0 0.417
392	390 - - 0 5.0187 4.6332 10.2874 H 388 0 0 0 0.417
393	391 - - 0 4.2597 4.6332 13.8747 O 392 393 0 0 -0.834
394	392 - - 0 5.0187 4.6332 14.3787 H 391 0 0 0 0.417
395	393 - - 0 5.0187 4.6332 13.3707 H 391 0 0 0 0.417
396	394 - - 0 4.2597 4.6332 16.958 O 395 396 0 0 -0.834
397	395 - - 0 5.0187 4.6332 17.4619 H 394 0 0 0 0.417
398	396 - - 0 5.0187 4.6332 16.454 H 394 0 0 0 0.417
399	397 - - 0 4.2597 4.6332 20.0412 O 398 399 0 0 -0.834
400	398 - - 0 5.0187 4.6332 20.5452 H 397 0 0 0 0.417
401	399 - - 0 5.0187 4.6332 19.5372 H 397 0 0 0 0.417
402	400 - - 0 4.2597 4.6332 23.1245 O 401 402 0 0 -0.834
403	401 - - 0 5.0187 4.6332 23.6285 H 400 0 0 0 0.417
404	402 - - 0 5.0187 4.6332 22.6205 H 400 0 0 0 0.417
405	403 - - 0 4.2597 4.6332 26.2077 O 404 405 0 0 -0.834
406	404 - - 0 5.0187 4.6332 26.7117 H 403 0 0 0 0.417
407	405 - - 0 5.0187 4.6332 25.7037 H 403 0 0 0 0.417
408	406 - - 0 4.2597 4.6332 29.291 O 407 408 0 0 -0.834
409	407 - - 0 5.0187 4.6332 29.795 H 406 0 0 0 0.417
410	408 - - 0 5.0187 4.6332 28.787 H 406 0 0 0 0.417
411	409 - - 0 4.2597 4.6332 32.3743 O 410 411 0 0 -0.834
412	410 - - 0 5.0187 4.6332 32.8783 H 409 0 0 0 0.417
413	411 - - 0 5.0187 4.6332 31.8703 H 409 0 0 0 0.417
414	412 - - 0 4.2597 7.722 1.54163 O 413 414 0 0 -0.834
415	413 - - 0 5.0187 7.722 2.04563 H 412 0 0 0 0.417
416	414 - - 0 5.0187 7.722 1.03763 H 412 0 0 0 0.417
417	415 - - 0 4.2597 7.722 4.6249 O 416 417 0 0 -0.834
418	416 - - 0 5.0187 7.722 5.1289 H 415 0 0 0 0.417
419	417 - - 0 5.0187 7.722 4.1209 H 415 0 0 0 0.417
420	418 - - 0 4.2597 7.722 7.70816 O 419 420 0 0 -0.834
421	419 - - 0 5.0187 7.722 8.21216 H 418 0 0 0 0.417
422	420 - - 0 5.0187 7.722 7.20416 H 418 0 0 0 0.417
423	421 - - 0 4.2597 7.722 10.7914 O 422 423 0 0 -0.834
424	422 - - 0 5.0187 7.722 11.2954 H 421 0 0 0 0.417
425	423 - - 0 5.0187 7.722 10.2874 H 421 0 0 0 0.417
426	424 - - 0 4.2597 7.722 13.8747 O 425 426 0 0 -0.834
427	425 - - 0 5.0187 7.722 14.3787 H 424 0 0 0 0.417
428	426 - - 0 5.0187 7.722 13.3707 H 424 0 0 0 0.417
429	427 - - 0 4.2597 7.722 16.958 O 428 429 0 0 -0.834
430	428 - - 0 5.0187 7.722 17.4619 H 427 0 0 0 0.417
431	429 - - 0 5.0187 7.722 16.454 H 427 0 0 0 0.417
432	430 - - 0 4.2597 7.722 20.0412 O 431 432 0 0 -0.834
433	431 - - 0 5.0187 7.722 20.5452 H 430 0 0 0 0.417
434	432 - - 0 5.0187 7.722 19.5372 H 430 0 0 0 0.417
435	433 - - 0 4.2597 7.722 23.1245 O 434 435 0 0 -0.834
436	434 - - 0 5.0187 7.722 23.6285 H 433 0 0 0 0.417
437	435 - - 0 5.0187 7.722 22.6205 H 433 0 0 0 0.417
438	436 - - 0 4.2597 7.722 26.2077 O 437 438 0 0 -0.834
439	437 - - 0 5.0187 7.722 26.7117 H 436 0 0 0 0.417
440	438 - - 0 5.0187 7.722 25.7037 H 436 0 0 0 0.417
441	439 - - 0 4.2597 7.722 29.291 O 440 441 0 0 -0.834
442	440 - - 0 5.0187 7.722 29.795 H 439 0 0 0 0.417
443	441 - - 0 5.0187 7.722 28.787 H 439 0 0 0 0.417
444	442 - - 0 4.2597 7.722 32.3743 O 443 444 0 0 -0.834
445	443 - - 0 5.0187 7.722 32.8783 H 442 0 0 0 0.417
446	444 - - 0 5.0187 7.722 31.8703 H 442 0 0 0 0.417
447	445 - - 0 4.2597 10.8108 1.54163 O 446 447 0 0 -0.834
448	446 - - 0 5.0187 10.8108 2.04563 H 445 0 0 0 0.417
449	447 - - 0 5.0187 10.8108 1.03763 H 445 0 0 0 0.417
450	448 - - 0 4.2597 10.8108 4.6249 O 449 450 0 0 -0.834
451	449 - - 0 5.0187 10.8108 5.1289 H 448 0 0 0 0.417
452	450 - - 0 5.0187 10.8108 4.1209 H 448 0 0 0 0.417
453	451 - - 0 4.2597 10.8108 7.70816 O 452 453 0 0 -0.834
454	452 - - 0 5.0187 10.8108 8.21216 H 451 0 0 0 0.417
455	453 - - 0 5.0187 10.8108 7.20416 H 451 0 0 0 0.417
456	454 - - 0 4.2597 10.8108 10.7914 O 455 456 0 0 -0.834
457	455 - - 0 5.0187 10.8108 11.2954 H 454 0 0 0 0.417
458	456 - - 0 5.0187 10.8108 10.2874 H 454 0 0 0 0.417
459	457 - - 0 4.2597 10.8108 13.8747 O 458 459 0 0 -0.834
460	458 - - 0 5.0187 10.8108 14.3787 H 457 0 0 0 0.417
461	459 - - 0 5.0187 10.8108 13.3707 H 457 0 0 0 0.417
462	460 - - 0 4.2597 10.8108 16.958 O 461 462 0 0 -0.834
463	461 - - 0 5.0187 10.8108 17.4619 H 460 0 0 0 0.417
464	462 - - 0 5.0187 10.8108 16.454 H 460 0 0 0 0.417
465	463 - - 0 4.2597 10.8108 20.0412 O 464 465 0 0 -0.834
466	464 - - 0 5.0187 10.8108 20.5452 H 463 0 0 0 0.417
467	465 - - 0 5.0187 10.8108 19.5372 H 463 0 0 0 0.417
468	466 - - 0 4.2597 10.8108 23.1245 O 467 468 0 0 -0.834
469	467 - - 0 5.0187 10.8108 23.6285 H 466 0 0 0 0.417
470	468 - - 0 5.0187 10.8108 22.6205 H 466 0 0 0 0.417
471	469 - - 0 4.2597 10.8108 26.2077 O 470 471 0 0 -0.834
472	470 - - 0 5.0187 10.8108 26.7117 H 469 0 0 0 0.417
473	471 - - 0 5.0187 10.8108 25.7037 H 469 0 0 0 0.417
474	472 - - 0 4.2597 10.8108 29.291 O 473 474 0 0 -0.834
475	473 - - 0 5.0187 10.8108 29.795 H 472 0 0 0 0.417
476	474 - - 0 5.0187 10.8108 28.787 H 472 0 0 0 0.417
477	475 - - 0 4.2597 10.8108 32.3743 O 476 477 0 0 -0.834
478	476 - - 0 5.0187 10.8108 32.8783 H 475 0 0 0 0.417
479	477 - - 0 5.0187 10.8108 31.8703 H 475 0 0 0 0.417
480	478 - - 0 4.2597 13.8996 1.54163 O 479 480 0 0 -0.834
481	479 - - 0 5.0187 13.8996 2.04563 H 478 0 0 0 0.417
482	480 - - 0 5.0187 13.8996 1.03763 H 478 0 0 0 0.417
483	481 - - 0 4.2597 13.8996 4.6249 O 482 483 0 0 -0.834
484	482 - - 0 5.0187 13.8996 5.1289 H 481 0 0 0 0.417
485	483 - - 0 5.0187 13.8996 4.1209 H 481 0 0 0 0.417
486	484 - - 0 4.2597 13.8996 7.70816 O 485 486 0 0 -0.834
487	485 - - 0 5.0187 13.8996 8.21216 H 484 0 0 0 0.417
488	486 - - 0 5.0187 13.8996 7.20416 H 484 0 0 0 0.417
489	487 - - 0 4.2597 13.8996 10.7914 O 488 489 0 0 -0.834
490	488 - - 0 5.0187 13.8996 11.2954 H 487 0 0 0 0.417
491	489 - - 0 5.0187 13.8996 10.2874 H 487 0 0 0 0.417
492	490 - - 0 4.2597 13.8996 13.8747 O 491 492 0 0 -0.834
493	491 - - 0 5.0187 13.8996 14.3787 H 490 0 0 0 0.417
494	492 - - 0 5.0187 13.8996 13.3707 H 490 0 0 0 0.417
495	493 - - 0 4.2597 13.8996 16.958 O 494 495 0 0 -0.834
496	494 - - 0 5.0187 13.8996 17.4619 H 493 0 0 0 0.417
497	495 - - 0 5.0187 13.8996 16.454 H 493 0 0 0 0.417
498	496 - - 0 4.2597 13.8996 20.0412 O 497 498 0 0 -0.834
499	497 - - 0 5.0187 13.8996 20.5452 H 496 0 0 0 0.417
500	498 - - 0 5.0187 13.8996 19.5372 H 496 0 0 0 0.417
501	499 - - 0 4.2597 13.8996 23.1245 O 500 501 0 0 -0.834
502	500 - - 0 5.0187 13.8996 23.6285 H 499 0 0 0 0.417
503	501 - - 0 5.0187 13.8996 22.6205 H 499 0 0 0 0.417
504	502 - - 0 4.2597 13.8996 26.2077 O 503 504 0 0 -0.834
505	503 - - 0 5.0187 13.8996 26.7117 H 502 0 0 0 0.417
506	504 - - 0 5.0187 13.8996 25.7037 H 502 0 0 0 0.417
507	505 - - 0 4.2597 13.8996 29.291 O 506 507 0 0 -0.834
508	506 - - 0 5.0187 13.8996 29.795 H 505 0 0 0 0.417
509	507 - - 0 5.0187 13.8996 28.787 H 505 0 0 0 0.417
510	508 - - 0 4.2597 13.8996 32.3743 O 509 510 0 0 -0.834
511	509 - - 0 5.0187 13.8996 32.8783 H 508 0 0 0 0.417
512	510 - - 0 5.0187 13.8996 31.8703 H 508 0 0 0 0.417
513	511 - - 0 4.2597 16.9884 1.54163 O 512 513 0 0 -0.834
514	512 - - 0 5.0187 16.9884 2.04563 H 511 0 0 0 0.417
515	513 - - 0 5.0187 16.9884 1.03763 H 511 0 0 0 0.417
516	514 - - 0 4.2597 16.9884 4.6249 O 515 516 0 0 -0.834
517	515 - - 0 5.0187 16.9884 5.1289 H 514 0 0 0 0.417
518	516 - - 0 5.0187 16.9884 4.1209 H 514 0 0 0 0.417
519	517 - - 0 4.2597 16.9884 7.70816 O 518 519 0 0 -0.834
520	518 - - 0 5.0187 16.9884 8.21216 H 517 0 0 0 0.417
521	519 - - 0 5.0187 16.9884 7.20416 H 517 0 0 0 0.417
522	520 - - 0 4.2597 16.9884 10.7914 O 521 522 0 0 -0.834
523	521 - - 0 5.0187 16.9884 11.2954 H 520 0 0 0 0.417
524	522 - - 0 5.0187 16.9884 10.2874 H 520 0 0 0 0.417
525	523 - - 0 4.2597 16.9884 13.8747 O 524 525 0 0 -0.834
526	524 - - 0 5.0187 16.9884 14.3787 H 523 0 0 0 0.417
527	525 - - 0 5.0187 16.9884 13.3707 H 523 0 0 0 0.417
528	526 - - 0 4.2597 16.9884 16.958 O 527 528 0 0 -0.834
529	527 - - 0 5.0187 16.9884 17.4619 H 526 0 0 0 0.417
530	528 - - 0 5.0187 16.9884 16.454 H 526 0 0 0 0.417
531	529 - - 0 4.2597 16.9884 20.0412 O 530 531 0 0 -0.834
532	530 - - 0 5.0187 16.9884 20.5452 H 529 0 0 0 0.417
533	531 - - 0 5.0187 16.9884 19.5372 H 529 0 0 0 0.417
534	532 - - 0 4.2597 16.9884 23.1245 O 533 534 0 0 -0.834
535	533 - - 0 5.0187 16.9884 23.6285 H 532 0 0 0 0.417
536	534 - - 0 5.0187 16.9884 22.6205 H 532 0 0 0 0.417
537	535 - - 0 4.2597 16.9884 26.2077 O 536 537 0 0 -0.834
538	536 - - 0 5.0187 16.9884 26.7117 H 535 0 0 0 0.417
539	537 - - 0 5.0187 16.9884 25.7037 H 535 0 0 0 0.417
540	538 - - 0 4.2597 16.9884 29.291 O 539 540 0 0 -0.834
541	539 - - 0 5.0187 16.9884 29.795 H 538 0 0 0 0.417
542	540 - - 0 5.0187 16.9884 28.787 H 538 0 0 0 0.417
543	541 - - 0 4.2597 16.9884 32.3743 O 542 543 0 0 -0.834
544	542 - - 0 5.0187 16.9884 32.8783 H 541 0 0 0 0.417
545	543 - - 0 5.0187 16.9884 31.8703 H 541 0 0 0 0.417
546	544 - - 0 4.2597 20.0772 1.54163 O 545 546 0 0 -0.834
547	545 - - 0 5.0187 20.0772 2.04563 H 544 0 0 0 0.417
548	546 - - 0 5.0187 20.0772 1.03763 H 544 0 0 0 0.417
549	547 - - 0 4.2597 20.0772 4.6249 O 548 549 0 0 -0.834
550	548 - - 0 5.0187 20.0772 5.1289 H 547 0 0 0 0.417
551	549 - - 0 5.0187 20.0772 4.1209 H 547 0 0 0 0.417
552	550 - - 0 4.2597 20.0772 7.70816 O 551 552 0 0 -0.834
553	551 - - 0 5.0187 20.0772 8.21216 H 550 0 0 0 0.417
554	552 - - 0 5.0187 20.0772 7.20416 H 550 0 0 0 0.417
555	553 - - 0 4.2597 20.0772 10.7914 O 554 555 0 0 -0.834
556	554 - - 0 5.0187 20.0772 11.2954 H 553 0 0 0 0.417
557	555 - - 0 5.0187 20.0772 10.2874 H 553 0 0 0 0.417
558	556 - - 0 4.2597 20.0772 13.8747 O 557 558 0 0 -0.834
559	557 - - 0 5.0187 20.0772 14.3787 H 556 0 0 0 0.417
560	558 - - 0 5.0187 20.0772 13.3707 H 556 0 0 0 0.417
561	559 - - 0 4.2597 20.0772 16.958 O 560 561 0 0 -0.834
562	560 - - 0 5.0187 20.0772 17.4619 H 559 0 0 0 0.417
563	561 - - 0 5.0187 20.0772 16.454 H 559 0 0 0 0.417
564	562 - - 0 4.2597 20.0772 20.0412 O 563 564 0 0 -0.834
565	563 - - 0 5.0187 20.0772 20.5452 H 562 0 0 0 0.417
566	564 - - 0 5.0187 20.0772 19.5372 H 562 0 0 0 0.417
567	565 - - 0 4.2597 20.0772 23.1245 O 566 567 0 0 -0.834
568	566 - - 0 5.0187 20.0772 23.6285 H 565 0 0 0 0.417
569	567 - - 0 5.0187 20.0772 22.6205 H 565 0 0 0 0.417
570	568 - - 0 4.2597 20.0772 26.2077 O 569 570 0 0 -0.834
571	569 - - 0 5.0187 20.0772 26.7117 H 568 0 0 0 0.417
572	570 - - 0 5.0187 20.0772 25.7037 H 568 0 0 0 0.417
573	571 - - 0 4.2597 20.0772 29.291 O 572 573 0 0 -0.834
574	572 - - 0 5.0187 20.0772 29.795 H 571 0 0 0 0.417
575	573 - - 0 5.0187 20.0772 28.787 H 571 0 0 0 0.417
576	574 - - 0 4.2597 20.0772 32.3743 O 575 576 0 0 -0.834
577	575 - - 0 5.0187 20.0772 32.8783 H 574 0 0 0 0.417
578	576 - - 0 5.0187 20.0772 31.8703 H 574 0 0 0 0.417
579	577 - - 0 7.0995 1.5444 1.54163 O 578 579 0 0 -0.834
580	578 - - 0 7.8585 1.5444 2.04563 H 577 0 0 0 0.417
581	579 - - 0 7.8585 1.5444 1.03763 H 577 0 0 0 0.417
582	580 - - 0 7.0995 1.5444 4.6249 O 581 582 0 0 -0.834
583	581 - - 0 7.8585 1.5444 5.1289 H 580 0 0 0 0.417
584	582 - - 0 7.8585 1.5444 4.1209 H 580 0 0 0 0.417
585	583 - - 0 7.0995 1.5444 7.70816 O 584 585 0 0 -0.834
586	584 - - 0 7.8585 1.5444 8.21216 H 583 0 0 0 0.417
587	585 - - 0 7.8585 1.5444 7.20416 H 583 0 0 0 0.417
588	586 - - 0 7.0995 1.5444 10.7914 O 587 588 0 0 -0.834
589	587 - - 0 7.8585 1.5444 11.2954 H 586 0 0 0 0.417
590	588 - - 0 7.8585 1.5444 10.2874 H 586 0 0 0 0.417
591	589 - - 0 7.0995 1.5444 13.8747 O 590 591 0 0 -0.834
592	590 - - 0 7.8585 1.5444 14.3787 H 589 0 0 0 0.417
593	591 - - 0 7.8585 1.5444 13.3707 H 589 0 0 0 0.417
594	592 - - 0 7.0995 1.5444 16.958 O 593 594 0 0 -0.834
595	593 - - 0 7.8585 1.5444 17.4619 H 592 0 0 0 0.417
596	594 - - 0 7.8585 1.5444 16.454 H 592 0 0 0 0.417
597	595 - - 0 7.0995 1.5444 20.0412 O 596 597 0 0 -0.834
598	596 - - 0 7.8585 1.5444 20.5452 H 595 0 0 0 0.417
599	597 - - 0 7.8585 1.5444 19.5372 H 595 0 0 0 0.417
600	598 - - 0 7.0995 1.5444 23.1245 O 599 600 0 0 -0.834
601	599 - - 0 7.8585 1.5444 23.6285 H 598 0 0 0 0.417
602	600 - - 0 7.8585 1.5444 22.6205 H 598 0 0 0 0.417
603	601 - - 0 7.0995 1.5444 26.2077 O 602 603 0 0 -0.834
604	602 - - 0 7.8585 1.5444 26.7117 H 601 0 0 0 0.417
605	603 - - 0 7.8585 1.5444 25.7037 H 601 0 0 0 0.417
606	604 - - 0 7.0995 1.5444 29.291 O 605 606 0 0 -0.834
607	605 - - 0 7.8585 1.5444 29.795 H 604 0 0 0 0.417
608	606 - - 0 7.8585 1.5444 28.787 H 604 0 0 0 0.417
609	607 - - 0 7.0995 1.5444 32.3743 O 608 609 0 0 -0.834
610	608 - - 0 7.8585 1.5444 32.8783 H 607 0 0 0 0.417
611	609 - - 0 7.8585 1.5444 31.8703 H 607 0 0 0 0.417
612	610 - - 0 7.0995 4.6332 1.54163 O 611 612 0 0 -0.834
613	611 - - 0 7.8585 4.6332 2.04563 H 610 0 0 0 0.417
614	612 - - 0 7.8585 4.6332 1.03763 H 610 0 0 0 0.417
615	613 - - 0 7.0995 4.6332 4.6249 O 614 615 0 0 -0.834
616	614 - - 0 7.8585 4.6332 5.1289 H 613 0 0 0 0.417
617	615 - - 0 7.8585 4.6332 4.1209 H 613 0 0 0 0.417
618	616 - - 0 7.0995 4.6332 7.70816 O 617 618 0 0 -0.834
619	617 - - 0 7.8585 4.6332 8.21216 H 616 0 0 0 0.417
620	618 - - 0 7.8585 4.6332 7.20416 H 616 0 0 0 0.417
621	619 - - 0 7.0995 4.6332 10.7914 O 620 621 0 0 -0.834
622	620 - - 0 7.8585 4.6332 11.2954 H 619 0 0 0 0.417
623	621 - - 0 7.8585 4.6332 10.2874 H 619 0 0 0 0.417
624	622 - - 0 7.0995 4.6332 13.8747 O 623 624 0 0 -0.834
625	623 - - 0 7.8585 4.6332 14.3787 H 622 0 0 0 0.417
626	624 - - 0 7.8585 4.6332 13.3707 H 622 0 0 0 0.417
627	625 - - 0 7.0995 4.6332 16.958 O 626 627 0 0 -0.834
628	626 - - 0 7.8585 4.6332 17.4619 H 625 0 0 0 0.417
629	627 - - 0 7.8585 4.6332 16.454 H 625 0 0 0 0.417
630	628 - - 0 7.0995 4.6332 20.0412 O 629 630 0 0 -0.834
631	629 - - 0 7.8585 4.6332 20.5452 H 628 0 0 0 0.417
632	630 - - 0 7.8585 4.6332 19.5372 H 628 0 0 0 0.417
633	631 - - 0 7.0995 4.6332 23.1245 O 632 633 0 0 -0.834
634	632 - - 0 7.8585 4.6332 23.6285 H 631 0 0 0 0.417
635	633 - - 0 7.8585 4.6332 22.6205 H 631 0 0 0 0.417
636	634 - - 0 7.0995 4.6332 26.2077 O 635 636 0 0 -0.834
637	635 - - 0 7.8585 4.6332 26.7117 H 634 0 0 0 0.417
638	636 - - 0 7.8585 4.6332 25.7037 H 634 0 0 0 0.417
639	637 - - 0 7.0995 4.6332 29.291 O 638 639 0 0 -0.834
640	638 - - 0 7.8585 4.6332 29.795 H 637 0 0 0 0.417
641	639 - - 0 7.8585 4.6332 28.787 H 637 0 0 0 0.417
642	640 - - 0 7.0995 4.6332 32.3743 O 641 642 0 0 -0.834
643	641 - - 0 7.8585 4.6332 32.8783 H 640 0 0 0 0.417
644	642 - - 0 7.8585 4.6332 31.8703 H 640 0 0 0 0.417
645	643 - - 0 7.0995 7.722 1.54163 O 644 645 0 0 -0.834
646	644 - - 0 7.8585 7.722 2.04563 H 643 0 0 0 0.417
647	645 - - 0 7.8585 7.722 1.03763 H 643 0 0 0 0.417
648	646 - - 0 7.0995 7.722 4.6249 O 647 648 0 0 -0.834
649	647 - - 0 7.8585 7.722 5.1289 H 646 0 0 0 0.417
650	648 - - 0 7.8585 7.722 4.1209 H 646 0 0 0 0.417
651	649 - - 0 7.0995 7.722 7.70816 O 650 651 0 0 -0.834
652	650 - - 0 7.8585 7.722 8.21216 H 649 0 0 0 0.417
653	651 - - 0 7.8585 7.722 7.20416 H 649 0 0 0 0.417
654	652 - - 0 7.0995 7.722 32.3743 O 653 654 0 0 -0.834
655	653 - - 0 7.8585 7.722 32.8783 H 652 0 0 0 0.417
656	654 - - 0 7.8585 7.722 31.8703 H 652 0 0 0 0.417
657	655 - - 0 7.0995 10.8108 1.54163 O 656 657 0 0 -0.834
658	656 - - 0 7.8585 10.8108 2.04563 H 655 0 0 0 0.417
659	657 - - 0 7.8585 10.8108 1.03763 H 655 0 0 0 0.417
660	658 - - 0 7.0995 10.8108 4.6249 O 659 660 0 0 -0.834
661	659 - - 0 7.8585 10.8108 5.1289 H 658 0 0 0 0.417
662	660 - - 0 7.8585 10.8108 4.1209 H 658 0 0 0 0.417
663	661 - - 0 7.0995 10.8108 29.291 O 662 663 0 0 -0.834
664	662 - - 0 7.8585 10.8108 29.795 H 661 0 0 0 0.417
665	663 - - 0 7.8585 10.8108 28.787 H 661 0 0 0 0.417
666	664 - - 0 7.0995 10.8108 32.3743 O 665 666 0 0 -0.834
667	665 - - 0 7.8585 10.8108 32.8783 H 664 0 0 0 0.417
668	666 - - 0 7.8585 10.8108 31.8703 H 664 0 0 0 0.417
669	667 - - 0 7.0995 13.8996 1.54163 O 668 669 0 0 -0.834
670	668 - - 0 7.8585 13.8996 2.04563 H 667 0 0 0 0.417
671	669 - - 0 7.8585 13.8996 1.03763 H 667 0 0 0 0.417
672	670 - - 0 7.0995 13.8996 4.6249 O 671 672 0 0 -0.834
673	671 - - 0 7.8585 13.8996 5.1289 H 670 0 0 0 0.417
674	672 - - 0 7.8585 13.8996 4.1209 H 670 0 0 0 0.417
675	673 - - 0 7.0995 13.8996 20.0412 O 674 675 0 0 -0.834
676	674 - - 0 7.8585 13.8996 20.5452 H 673 0 0 0 0.417
677	675 - - 0 7.8585 13.8996 19.5372 H 673 0 0 0 0.417
678	676 - - 0 7.0995 13.8996 23.1245 O 677 678 0 0 -0.834
679	677 - - 0 7.8585 13.8996 23.6285 H 676 0 0 0 0.417
680	678 - - 0 7.8585 13.8996 22.6205 H 676 0 0 0 0.417
681	679 - - 0 7.0995 13.8996 26.2077 O 680 681 0 0 -0.834
682	680 - - 0 7.8585 13.8996 26.7117 H 679 0 0 0 0.417
683	681 - - 0 7.8585 13.8996 25.7037 H 679 0 0 0 0.417
684	682 - - 0 7.0995 13.8996 29.291 O 683 684 0 0 -0.834
685	683 - - 0 7.8585 13.8996 29.795 H 682 0 0 0 0.417
686	684 - - 0 7.8585 13.8996 28.787 H 682 0 0 0 0.417
687	685 - - 0 7.0995 13.8996 32.3743 O 686 687 0 0 -0.834
688	686 - - 0 7.8585 13.8996 32.8783 H 685 0 0 0 0.417
689	687 - - 0 7.8585 13.8996 31.8703 H 685 0 0 0 0.417
690	688 - - 0 7.0995 16.9884 1.54163 O 689 690 0 0 -0.834
691	689 - - 0 7.8585 16.9884 2.04563 H 688 0 0 0 0.417
692	690 - - 0 7.8585 16.9884 1.03763 H 688 0 0 0 0.417
693	691 - - 0 7.0995 16.9884 4.6249 O 692 693 0 0 -0.834
694	692 - - 0 7.8585 16.9884 5.1289 H 691 0 0 0 0.417
695	693 - - 0 7.8585 16.9884 4.1209 H 691 0 0 0 0.417
696	694 - - 0 7.0995 16.9884 7.70816 O 695 696 0 0 -0.834
697	695 - - 0 7.8585 16.9884 8.21216 H 694 0 0 0 0.417
698	696 - - 0 7.8585 16.9884 7.20416 H 694 0 0 0 0.417
699	697 - - 0 7.0995 16.9884 10.7914 O 698 699 0 0 -0.834
700	698 - - 0 7.8585 16.9884 11.2954 H 697 0 0 0 0.417
701	699 - - 0 7.8585 16.9884 10.2874 H 697 0 0 0 0.417
702	700 - - 0 7.0995 16.9884 13.8747 O 701 702 0 0 -0.834
703	701 - - 0 7.8585 16.9884 14.3787 H 700 0 0 0 0.417
704	702 - - 0 7.8585 16.9884 13.3707 H 700 0 0 0 0.417
705	703 - - 0 7.0995 16.9884 16.958 O 704 705 0 0 -0.834
706	704 - - 0 7.8585 16.9884 17.4619 H 703 0 0 0 0.417
707	705 - - 0 7.8585 16.9884 16.454 H 703 0 0 0 0.417
708	706 - - 0 7.0995 16.9884 20.0412 O 707 708 0 0 -0.834
709	707 - - 0 7.8585 16.9884 20.5452 H 706 0 0 0 0.417
710	708 - - 0 7.8585 16.9884 19.5372 H 706 0 0 0 0.417
711	709 - - 0 7.0995 16.9884 23.1245 O 710 711 0 0 -0.834
712	710 - - 0 7.8585 16.9884 23.6285 H 709 0 0 0 0.417
713	711 - - 0 7.8585 16.9884 22.6205 H 709 0 0 0 0.417
714	712 - - 0 7.0995 16.9884 26.2077 O 713 714 0 0 -0.834
715	713 - - 0 7.8585 16.9884 26.7117 H 712 0 0 0 0.417
716	714 - - 0 7.8585 16.9884 25.7037 H 712 0 0 0 0.417
717	715 - - 0 7.0995 16.9884 29.291 O 716 717 0 0 -0.834
718	716 - - 0 7.8585 16.9884 29.795 H 715 0 0 0 0.417
719	717 - - 0 7.8585 16.9884 28.787 H 715 0 0 0 0.417
720	718 - - 0 7.0995 16.9884 32.3743 O 719 720 0 0 -0.834
721	719 - - 0 7.8585 16.9884 32.8783 H 718 0 0 0 0.417
722	720 - - 0 7.8585 16.9884 31.8703 H 718 0 0 0 0.417
723	721 - - 0 7.0995 20.0772 1.54163 O 722 723 0 0 -0.834
724	722 - - 0 7.8585 20.0772 2.04563 H 721 0 0 0 0.417
725	723 - - 0 7.8585 20.0772 1.03763 H 721 0 0 0 0.417
726	724 - - 0 7.0995 20.0772 4.6249 O 725 726 0 0 -0.834
727	725 - - 0 7.8585 20.0772 5.1289 H 724 0 0 0 0.417
728	726 - - 0 7.8585 20.0772 4.1209 H 724 0 0 0 0.417
729	727 - - 0 7.0995 20.0772 7.70816 O 728 729 0 0 -0.834
730	728 - - 0 7.8585 20.0772 8.21216 H 727 0 0 0 0.417
731	729 - - 0 7.8585 20.0772 7.20416 H 727 0 0 0 0.417
732	730 - - 0 7.0995 20.0772 10.7914 O 731 732 0 0 -0.834
733	731 - - 0 7.8585 20.0772 11.2954 H 730 0 0 0 0.417
734	732 - - 0 7.8585 20.0772 10.2874 H 730 0 0 0 0.417
735	733 - - 0 7.0995 20.0772 13.8747 O 734 735 0 0 -0.834
736	734 - - 0 7.8585 20.0772 14.3787 H 733 0 0 0 0.417
737	735 - - 0 7.8585 20.0772 13.3707 H 733 0 0 0 0.417
738	736 - - 0 7.0995 20.0772 16.958 O 737 738 0 0 -0.834
739	737 - - 0 7.8585 20.0772 17.4619 H 736 0 0 0 0.417
740	738 - - 0 7.8585 20.0772 16.454 H 736 0 0 0 0.417
741	739 - - 0 7.0995 20.0772 20.0412 O 740 741 0 0 -0.834
742	740 - - 0 7.8585 20.0772 20.5452 H 739 0 0 0 0.417
743	741 - - 0 7.8585 20.0772 19.5372 H 739 0 0 0 0.417
744	742 - - 0 7.0995 20.0772 23.1245 O 743 744 0 0 -0.834
745	743 - - 0 7.8585 20.0772 23.6285 H 742 0 0 0 0.417
746	744 - - 0 7.8585 20.0772 22.6205 H 742 0 0 0 0.417
747	745 - - 0 7.0995 20.0772 26.2077 O 746 747 0 0 -0.834
748	746 - - 0 7.8585 20.0772 26.7117 H 745 0 0 0 0.417
749	747 - - 0 7.8585 20.0772 25.7037 H 745 0 0 0 0.417
750	748 - - 0 7.0995 20.0772 29.291 O 749 750 0 0 -0.834
751	749 - - 0 7.8585 20.0772 29.795 H 748 0 0 0 0.417
752	750 - - 0 7.8585 20.0772 28.787 H 748 0 0 0 0.417
753	751 - - 0 7.0995 20.0772 32.3743 O 752 753 0 0 -0.834
754	752 - - 0 7.8585 20.0772 32.8783 H 751 0 0 0 0.417
755	753 - - 0 7.8585 20.0772 31.8703 H 751 0 0 0 0.417
756	754 - - 0 9.9393 1.5444 1.54163 O 755 756 0 0 -0.834
757	755 - - 0 10.6983 1.5444 2.04563 H 754 0 0 0 0.417
758	756 - - 0 10.6983 1.5444 1.03763 H 754 0 0 0 0.417
759	757 - - 0 9.9393 1.5444 4.6249 O 758 759 0 0 -0.834
760	758 - - 0 10.6983 1.5444 5.1289 H 757 0 0 0 0.417
761	759 - - 0 10.6983 1.5444 4.1209 H 757 0 0 0 0.417
762	760 - - 0 9.9393 1.5444 7.70816 O 761 762 0 0 -0.834
763	761 - - 0 10.6983 1.5444 8.21216 H 760 0 0 0 0.417
764	762 - - 0 10.6983 1.5444 7.20416 H 760 0 0 0 0.417
765	763 - - 0 9.9393 1.5444 10.7914 O 764 765 0 0 -0.834
766	764 - - 0 10.6983 1.5444 11.2954 H 763 0 0 0 0.417
767	765 - - 0 10.6983 1.5444 10.2874 H 763 0 0 0 0.417
768	766 - - 0 9.9393 1.5444 13.8747 O 767 768 0 0 -0.834
769	767 - - 0 10.6983 1.5444 14.3787 H 766 0 0 0 0.417
770	768 - - 0 10.6983 1.5444 13.3707 H 766 0 0 0 0.417
771	769 - - 0 9.9393 1.5444 16.958 O 770 771 0 0 -0.834
772	770 - - 0 10.6983 1.5444 17.4619 H 769 0 0 0 0.417
773	771 - - 0 10.6983 1.5444 16.454 H 769 0 0 0 0.417
774	772 - - 0 9.9393 1.5444 20.0412 O 773 774 0 0 -0.834
775	773 - - 0 10.6983 1.5444 20.5452 H 772 0 0 0 0.417
776	774 - - 0 10.6983 1.5444 19.5372 H 772 0 0 0 0.417
777	775 - - 0 9.9393 1.5444 23.1245 O 776 777 0 0 -0.834
778	776 - - 0 10.6983 1.5444 23.6285 H 775 0 0 0 0.417
779	777 - - 0 10.6983 1.5444 22.6205 H 775 0 0 0 0.417
780	778 - - 0 9.9393 1.5444 26.2077 O 779 780 0 0 -0.834
781	779 - - 0 10.6983 1.5444 26.7117 H 778 0 0 0 0.417
782	780 - - 0 10.6983 1.5444 25.7037 H 778 0 0 0 0.417
783	781 - - 0 9.9393 1.5444 29.291 O 782 783 0 0 -0.834
784	782 - - 0 10.6983 1.5444 29.795 H 781 0 0 0 0.417
785	783 - - 0 10.6983 1.5444 28.787 H 781 0 0 0 0.417
786	784 - - 0 9.9393 1.5444 32.3743 O 785 786 0 0 -0.834
787	785 - - 0 10.6983 1.5444 32.8783 H 784 0 0 0 0.417
788	786 - - 0 10.6983 1.5444 31.8703 H 784 0 0 0 0.417
789	787 - - 0 9.9393 4.6332 1.54163 O 788 789 0 0 -0.834
790	788 - - 0 10.6983 4.6332 2.04563 H 787 0 0 0 0.417
791	789 - - 0 10.6983 4.6332 1.03763 H 787 0 0 0 0.417
792	790 - - 0 9.9393 4.6332 4.6249 O 791 792 0 0 -0.834
793	791 - - 0 10.6983 4.6332 5.1289 H 790 0 0 0 0.417
794	792 - - 0 10.6983 4.6332 4.1209 H 790 0 0 0 0.417
795	793 - - 0 9.9393 4.6332 7.70816 O 794 795 0 0 -0.834
796	794 - - 0 10.6983 4.6332 8.21216 H 793 0 0 0 0.417
797	795 - - 0 10.6983 4.6332 7.20416 H 793 0 0 0 0.417
798	796 - - 0 9.9393 4.6332 10.7914 O 797 798 0 0 -0.834
799	797 - - 0 10.6983 4.6332 11.2954 H 796 0 0 0 0.417
800	798 - - 0 10.6983 4.6332 10.2874 H 796 0 0 0 0.417
801	799 - - 0 9.9393 4.6332 13.8747 O 800 801 0 0 -0.834
802	800 - - 0 10.6983 4.6332 14.3787 H 799 0 0 0 0.417
803	801 - - 0 10.6983 4.6332 13.3707 H 799 0 0 0 0.417
804	802 - - 0 9.9393 4.6332 16.958 O 803 804 0 0 -0.834
805	803 - - 0 10.6983 4.6332 17.4619 H 802 0 0 0 0.417
806	804 - - 0 10.6983 4.6332 16.454 H 802 0 0 0 0.417
807	805 - - 0 9.9393 4.6332 20.0412 O 806 807 0 0 -0.834
808	806 - - 0 10.6983 4.6332 20.5452 H 805 0 0 0 0.417
809	807 - - 0 10.6983 4.6332 19.5372 H 805 0 0 0 0.417
810	808 - - 0 9.9393 4.6332 23.1245 O 809 810 0 0 -0.834
811	809 - - 0 10.6983 4.6332 23.6285 H 808 0 0 0 0.417
812	810 - - 0 10.6983 4.6332 22.6205 H 808 0 0 0 0.417
813	811 - - 0 9.9393 4.6332 26.2077 O 812 813 0 0 -0.834
814	812 - - 0 10.6983 4.6332 26.7117 H 811 0 0 0 0.417
815	813 - - 0 10.6983 4.6332 25.7037 H 811 0 0 0 0.417
816	814 - - 0 9.9393 4.6332 29.291 O 815 816 0 0 -0.834
817	815 - - 0 10.6983 4.6332 29.795 H 814 0 0 0 0.417
818	816 - - 0 10.6983 4.6332 28.787 H 814 0 0 0 0.417
819	817 - - 0 9.9393 4.6332 32.3743 O 818 819 0 0 -0.834
820	818 - - 0 10.6983 4.6332 32.8783 H 817 0 0 0 0.417
821	819 - - 0 10.6983 4.6332 31.8703 H 817 0 0 0 0.417
822	820 - - 0 9.9393 7.722 1.54163 O 821 822 0 0 -0.834
823	821 - - 0 10.6983 7.722 2.04563 H 820 0 0 0 0.417
824	822 - - 0 10.6983 7.722 1.03763 H 820 0 0 0 0.417
825	823 - - 0 9.9393 7.722 4.6249 O 824 825 0 0 -0.834
826	824 - - 0 10.6983 7.722 5.1289 H 823 0 0 0 0.417
827	825 - - 0 10.6983 7.722 4.1209 H 823 0 0 0 0.417
828	826 - - 0 9.9393 7.722 7.70816 O 827 828 0 0 -0.834
829	827 - - 0 10.6983 7.722 8.21216 H 826 0 0 0 0.417
830	828 - - 0 10.6983 7.722 7.20416 H 826 0 0 0 0.417
831	829 - - 0 9.9393 7.722 10.7914 O 830 831 0 0 -0.834
832	830 - - 0 10.6983 7.722 11.2954 H 829 0 0 0 0.417
833	831 - - 0 10.6983 7.722 10.2874 H 829 0 0 0 0.417
834	832 - - 0 9.9393 7.722 13.8747 O 833 834 0 0 -0.834
835	833 - - 0 10.6983 7.722 14.3787 H 832 0 0 0 0.417
836	834 - - 0 10.6983 7.722 13.3707 H 832 0 0 0 0.417
837	835 - - 0 9.9393 7.722 16.958 O 836 837 0 0 -0.834
838	836 - - 0 10.6983 7.722 17.4619 H 835 0 0 0 0.417
839	837 - - 0 10.6983 7.722 16.454 H 835 0 0 0 0.417
840	838 - - 0 9.9393 7.722 20.0412 O 839 840 0 0 -0.834
841	839 - - 0 10.6983 7.722 20.5452 H 838 0 0 0 0.417
842	840 - - 0 10.6983 7.722 19.5372 H 838 0 0 0 0.417
843	841 - - 0 9.9393 7.722 23.1245 O 842 843 0 0 -0.834
844	842 - - 0 10.6983 7.722 23.6285 H 841 0 0 0 0.417
845	843 - - 0 10.6983 7.722 22.6205 H 841 0 0 0 0.417
846	844 - - 0 9.9393 7.722 26.2077 O 845 846 0 0 -0.834
847	845 - - 0 10.6983 7.722 26.7117 H 844 0 0 0 0.417
848	846 - - 0 10.6983 7.722 25.7037 H 844 0 0 0 0.417
849	847 - - 0 9.9393 7.722 29.291 O 848 849 0 0 -0.834
850	848 - - 0 10.6983 7.722 29.795 H 847 0 0 0 0.417
851	849 - - 0 10.6983 7.722 28.787 H 847 0 0 0 0.417
852	850 - - 0 9.9393 7.722 32.3743 O 851 852 0 0 -0.834
853	851 - - 0 10.6983 7.722 32.8783 H 850 0 0 0 0.417
854	852 - - 0 10.6983 7.722 31.8703 H 850 0 0 0 0.417
855	853 - - 0 9.9393 10.8108 1.54163 O 854 855 0 0 -0.834
856	854 - - 0 10.6983 10.8108 2.04563 H 853 0 0 0 0.417
857	855 - - 0 10.6983 10.8108 1.03763 H 853 0 0 0 0.417
858	856 - - 0 9.9393 10.8108 4.6249 O 857 858 0 0 -0.834
859	857 - - 0 10.6983 10.8108 5.1289 H 856 0 0 0 0.417
860	858 - - 0 10.6983 10.8108 4.1209 H 856 0 0 0 0.417
861	859 - - 0 9.9393 10.8108 7.70816 O 860 861 0 0 -0.834
862	860 - - 0 10.6983 10.8108 8.21216 H 859 0 0 0 0.417
863	861 - - 0 10.6983 10.8108 7.20416 H 859 0 0 0 0.417
864	862 - - 0 9.9393 10.8108 10.7914 O 863 864 0 0 -0.834
865	863 - - 0 10.6983 10.8108 11.2954 H 862 0 0 0 0.417
866	864 - - 0 10.6983 10.8108 10.2874 H 862 0 0 0 0.417
867	865 - - 0 9.9393 10.8108 13.8747 O 866 867 0 0 -0.834
868	866 - - 0 10.6983 10.8108 14.3787 H 865 0 0 0 0.417
869	867 - - 0 10.6983 10.8108 13.3707 H 865 0 0 0 0.417
870	868 - - 0 9.9393 10.8108 16.958 O 869 870 0 0 -0.834
871	869 - - 0 10.6983 10.8108 17.4619 H 868 0 0 0 0.417
872	870 - - 0 10.6983 10.8108 16.454 H 868 0 0 0 0.417
873	871 - - 0 9.9393 10.8108 20.0412 O 872 873 0 0 -0.834
874	872 - - 0 10.6983 10.8108 20.5452 H 871 0 0 0 0.417
875	873 - - 0 10.6983 10.8108 19.5372 H 871 0 0 0 0.417
876	874 - - 0 9.9393 10.8108 23.1245 O 875 876 0 0 -0.834
877	875 - - 0 10.6983 10.8108 23.6285 H 874 0 0 0 0.417
878	876 - - 0 10.6983 10.8108 22.6205 H 874 0 0 0 0.417
879	877 - - 0 9.9393 10.8108 26.2077 O 878 879 0 0 -0.834
880	878 - - 0 10.6983 10.8108 26.7117 H 877 0 0 0 0.417
881	879 - - 0 10.6983 10.8108 25.7037 H 877 0 0 0 0.417
882	880 - - 0 9.9393 10.8108 29.291 O 881 882 0 0 -0.834
883	881 - - 0 10.6983 10.8108 29.795 H 880 0 0 0 0.417
884	882 - - 0 10.6983 10.8108 28.787 H 880 0 0 0 0.417
885	883 - - 0 9.9393 10.8108 32.3743 O 884 885 0 0 -0.834
886	884 - - 0 10.6983 10.8108 32.8783 H 883 0 0 0 0.417
887	885 - - 0 10.6983 10.8108 31.8703 H 883 0 0 0 0.417
888	886 - - 0 9.9393 13.8996 1.54163 O 887 888 0 0 -0.834
889	887 - - 0 10.6983 13.8996 2.04563 H 886 0 0 0 0.417
890	888 - - 0 10.6983 13.8996 1.03763 H 886 0 0 0 0.417
891	889 - - 0 9.9393 13.8996 4.6249 O 890 891 0 0 -0.834
892	890 - - 0 10.6983 13.8996 5.1289 H 889 0 0 0 0.417
893	891 - - 0 10.6983 13.8996 4.1209 H 889 0 0 0 0.417
894	892 - - 0 9.9393 13.8996 7.70816 O 893 894 0 0 -0.834
895	893 - - 0 10.6983 13.8996 8.21216 H 892 0 0 0 0.417
896	894 - - 0 10.6983 13.8996 7.20416 H 892 0 0 0 0.417
897	895 - - 0 9.9393 13.8996 10.7914 O 896 897 0 0 -0.834
898	896 - - 0 10.6983 13.8996 11.2954 H 895 0 0 0 0.417
899	897 - - 0 10.6983 13.8996 10.2874 H 895 0 0 0 0.417
900	898 - - 0 9.9393 13.8996 13.8747 O 899 900 0 0 -0.834
901	899 - - 0 10.6983 13.8996 14.3787 H 898 0 0 0 0.417
902	900 - - 0 10.6983 13.8996 13.3707 H 898 0 0 0 0.417
903	901 - - 0 9.9393 13.8996 16.958 O 902 903 0 0 -0.834
904	902 - - 0 10.6983 13.8996 17.4619 H 901 0 0 0 0.417
905	903 - - 0 10.6983 13.8996 16.454 H 901 0 0 0 0.417
906	904 - - 0 9.9393 13.8996 20.0412 O 905 906 0 0 -0.834
907	905 - - 0 10.6983 13.8996 20.5452 H 904 0 0 0 0.417
908	906 - - 0 10.6983 13.8996 19.5372 H 904 0 0 0 0.417
909	907 - - 0 9.9393 13.8996 23.1245 O 908 909 0 0 -0.834
910	908 - - 0 10.6983 13.8996 23.6285 H 907 0 0 0 0.417
911	909 - - 0 10.6983 13.8996 22.6205 H 907 0 0 0 0.417
912	910 - - 0 9.9393 13.8996 26.2077 O 911 912 0 0 -0.834
913	911 - - 0 10.6983 13.8996 26.7117 H 910 0 0 0 0.417
914	912 - - 0 10.6983 13.8996 25.7037 H 910 0 0 0 0.417
915	913 - - 0 9.9393 13.8996 29.291 O 914 915 0 0 -0.834
916	914 - - 0 10.6983 13.8996 29.795 H 913 0 0 0 0.417
917	915 - - 0 10.6983 13.8996 28.787 H 913 0 0 0 0.417
918	916 - - 0 9.9393 13.8996 32.3743 O 917 918 0 0 -0.834
919	917 - - 0 10.6983 13.8996 32.8783 H 916 0 0 0 0.417
920	918 - - 0 10.6983 13.8996 31.8703 H 916 0 0 0 0.417
921	919 - - 0 9.9393 16.9884 1.54163 O 920 921 0 0 -0.834
922	920 - - 0 10.6983 16.9884 2.04563 H 919 0 0 0 0.417
923	921 - - 0 10.6983 16.9884 1.03763 H 919 0 0 0 0.417
924	922 - - 0 9.9393 16.9884 4.6249 O 923 924 0 0 -0.834
925	923 - - 0 10.6983 16.9884 5.1289 H 922 0 0 0 0.417
926	924 - - 0 10.6983 16.9884 4.1209 H 922 0 0 0 0.417
927	925 - - 0 9.9393 16.9884 7.70816 O 926 927 0 0 -0.834
928	926 - - 0 10.6983 16.9884 8.21216 H 925 0 0 0 0.417
929	927 - - 0 10.6983 16.9884 7.20416 H 925 0 0 0 0.417
930	928 - - 0 9.9393 16.9884 10.7914 O 929 930 0 0 -0.834
931	929 - - 0 10.6983 16.9884 11.2954 H 928 0 0 0 0.417
932	930 - - 0 10.6983 16.9884 10.2874 H 928 0 0 0 0.417
933	931 - - 0 9.9393 16.9884 13.8747 O 932 933 0 0 -0.834
934	932 - - 0 10.6983 16.9884 14.3787 H 931 0 0 0 0.417
935	933 - - 0 10.6983 16.9884 13.3707 H 931 0 0 0 0.417
936	934 - - 0 9.9393 16.9884 16.958 O 935 936 0 0 -0.834
937	935 - - 0 10.6983 16.9884 17.4619 H 934 0 0 0 0.417
938	936 - - 0 10.6983 16.9884 16.454 H 934 0 0 0 0.417
939	937 - - 0 9.9393 16.9884 20.0412 O 938 939 0 0 -0.834
940	938 - - 0 10.6983 16.9884 20.5452 H 937 0 0 0 0.417
941	939 - - 0 10.6983 16.9884 19.5372 H 937 0 0 0 0.417
942	940 - - 0 9.9393 16.9884 23.1245 O 941 942 0 0 -0.834
943	941 - - 0 10.6983 16.9884 23.6285 H 940 0 0 0 0.417
944	942 - - 0 10.6983 16.9884 22.6205 H 940 0 0 0 0.417
945	943 - - 0 9.9393 16.9884 26.2077 O 944 945 0 0 -0.834
946	944 - - 0 10.6983 16.9884 26.7117 H 943 0 0 0 0.417
947	945 - - 0 10.6983 16.9884 25.7037 H 943 0 0 0 0.417
948	946 - - 0 9.9393 16.9884 29.291 O 947 948 0 0 -0.834
949	947 - - 0 10.6983 16.9884 29.795 H 946 0 0 0 0.417
950	948 - - 0 10.6983 16.9884 28.787 H 946 0 0 0 0.417
951	949 - - 0 9.9393 16.9884 32.3743 O 950 951 0 0 -0.834
952	950 - - 0 10.6983 16.9884 32.8783 H 949 0 0 0 0.417
953	951 - - 0 10.6983 16.9884 31.8703 H 949 0 0 0 0.417
954	952 - - 0 9.9393 20.0772 1.54163 O 953 954 0 0 -0.834
955	953 - - 0 10.6983 20.0772 2.04563 H 952 0 0 0 0.417
956	954 - - 0 10.6983 20.0772 1.03763 H 952 0 0 0 0.417
957	955 - - 0 9.9393 20.0772 4.6249 O 956 957 0 0 -0.834
958	956 - - 0 10.6983 20.0772 5.1289 H 955 0 0 0 0.417
959	957 - - 0 10.6983 20.0772 4.1209 H 955 0 0 0 0.417
960	958 - - 0 9.9393 20.0772 7.70816 O 959 960 0 0 -0.834
961	959 - - 0 10.6983 20.0772 8.21216 H 958 0 0 0 0.417
962	960 - - 0 10.6983 20.0772 7.20416 H 958 0 0 0 0.417
963	961 - - 0 9.9393 20.0772 10.7914 O 962 963 0 0 -0.834
964	962 - - 0 10.6983 20.0772 11.2954 H 961 0 0 0 0.417
965	963 - - 0 10.6983 20.0772 10.2874 H 961 0 0 0 0.417
966	964 - - 0 9.9393 20.0772 13.8747 O 965 966 0 0 -0.834
967	965 - - 0 10.6983 20.0772 14.3787 H 964 0 0 0 0.417
968	966 - - 0 10.6983 20.0772 13.3707 H 964 0 0 0 0.417
969	967 - - 0 9.9393 20.0772 16.958 O 968 969 0 0 -0.834
970	968 - - 0 10.6983 20.0772 17.4619 H 967 0 0 0 0.417
971	969 - - 0 10.6983 20.0772 16.454 H 967 0 0 0 0.417
972	970 - - 0 9.9393 20.0772 20.0412 O 971 972 0 0 -0.834
973	971 - - 0 10.6983 20.0772 20.5452 H 970 0 0 0 0.417
974	972 - - 0 10.6983 20.0772 19.5372 H 970 0 0 0 0.417
975	973 - - 0 9.9393 20.0772 23.1245 O 974 975 0 0 -0.834
976	974 - - 0 10.6983 20.0772 23.6285 H 973 0 0 0 0.417
977	975 - - 0 10.6983 20.0772 22.6205 H 973 0 0 0 0.417
978	976 - - 0 9.9393 20.0772 26.2077 O 977 978 0 0 -0.834
979	977 - - 0 10.6983 20.0772 26.7117 H 976 0 0 0 0.417
980	978 - - 0 10.6983 20.0772 25.7037 H 976 0 0 0 0.417
981	979 - - 0 9.9393 20.0772 29.291 O 980 981 0 0 -0.834
982	980 - - 0 10.6983 20.0772 29.795 H 979 0 0 0 0.417
983	981 - - 0 10.6983 20.0772 28.787 H 979 0 0 0 0.417
984	982 - - 0 9.9393 20.0772 32.3743 O 983 984 0 0 -0.834
985	983 - - 0 10.6983 20.0772 32.8783 H 982 0 0 0 0.417
986	984 - - 0 10.6983 20.0772 31.8703 H 982 0 0 0 0.417
987	985 - - 0 12.7791 1.5444 1.54163 O 986 987 0 0 -0.834
988	986 - - 0 13.5381 1.5444 2.04563 H 985 0 0 0 0.417
989	987 - - 0 13.5381 1.5444 1.03763 H 985 0 0 0 0.417
990	988 - - 0 12.7791 1.5444 4.6249 O 989 990 0 0 -0.834
991	989 - - 0 13.5381 1.5444 5.1289 H 988 0 0 0 0.417
992	990 - - 0 13.5381 1.5444 4.1209 H 988 0 0 0 0.417
993	991 - - 0 12.7791 1.5444 7.70816 O 992 993 0 0 -0.834
994	992 - - 0 13.5381 1.5444 8.21216 H 991 0 0 0 0.417
995	993 - - 0 13.5381 1.5444 7.20416 H 991 0 0 0 0.417
996	994 - - 0 12.7791 1.5444 10.7914 O 995 996 0 0 -0.834
997	995 - - 0 13.5381 1.5444 11.2954 H 994 0 0 0 0.417
998	996 - - 0 13.5381 1.5444 10.2874 H 994 0 0 0 0.417
999	997 - - 0 12.7791 1.5444 13.8747 O 998 999 0 0 -0.834
1000	998 - - 0 13.5381 1.5444 14.3787 H 997 0 0 0 0.417
1001	999 - - 0 13.5381 1.5444 13.3707 H 997 0 0 0 0.417
1002	1000 - - 0 12.7791 1.5444 16.958 O 1001 1002 0 0 -0.834
1003	1001 - - 0 13.5381 1.5444 17.4619 H 1000 0 0 0 0.417
1004	1002 - - 0 13.5381 1.5444 16.454 H 1000 0 0 0 0.417
1005	1003 - - 0 12.7791 1.5444 20.0412 O 1004 1005 0 0 -0.834
1006	1004 - - 0 13.5381 1.5444 20.5452 H 1003 0 0 0 0.417
1007	1005 - - 0 13.5381 1.5444 19.5372 H 1003 0 0 0 0.417
1008	1006 - - 0 12.7791 1.5444 23.1245 O 1007 1008 0 0 -0.834
1009	1007 - - 0 13.5381 1.5444 23.6285 H 1006 0 0 0 0.417
1010	1008 - - 0 13.5381 1.5444 22.6205 H 1006 0 0 0 0.417
1011	1009 - - 0 12.7791 1.5444 26.2077 O 1010 1011 0 0 -0.834
1012	1010 - - 0 13.5381 1.5444 26.7117 H 1009 0 0 0 0.417
1013	1011 - - 0 13.5381 1.5444 25.7037 H 1009 0 0 0 0.417
1014	1012 - - 0 12.7791 1.5444 29.291 O 1013 1014 0 0 -0.834
1015	1013 - - 0 13.5381 1.5444 29.795 H 1012 0 0 0 0.417
1016	1014 - - 0 13.5381 1.5444 28.787 H 1012 0 0 0 0.417
1017	1015 - - 0 12.7791 1.5444 32.3743 O 1016 1017 0 0 -0.834
1018	1016 - - 0 13.5381 1.5444 32.8783 H 1015 0 0 0 0.417
1019	1017 - - 0 13.5381 1.5444 31.8703 H 1015 0 0 0 0.417
1020	1018 - - 0 12.7791 4.6332 1.54163 O 1019 1020 0 0 -0.834
1021	1019 - - 0 13.5381 4.6332 2.04563 H 1018 0 0 0 0.417
1022	1020 - - 0 13.5381 4.6332 1.03763 H 1018 0 0 0 0.417
1023	1021 - - 0 12.7791 4.6332 4.6249 O 1022 1023 0 0 -0.834
1024	1022 - - 0 13.5381 4.6332 5.1289 H 1021 0 0 0 0.417
1025	1023 - - 0 13.5381 4.6332 4.1209 H 1021 0 0 0 0.417
1026	1024 - - 0 12.7791 4.6332 7.70816 O 1025 1026 0 0 -0.834
1027	1025 - - 0 13.5381 4.6332 8.21216 H 1024 0 0 0 0.417
1028	1026 - - 0 13.5381 4.6332 7.20416 H 1024 0 0 0 0.417
1029	1027 - - 0 12.7791 4.6332 10.7914 O 1028 1029 0 0 -0.834
1030	1028 - - 0 13.5381 4.6332 11.2954 H 1027 0 0 0 0.417
1031	1029 - - 0 13.5381 4.6332 10.2874 H 1027 0 0 0 0.417
1032	1030 - - 0 12.7791 4.6332 13.8747 O 1031 1032 0 0 -0.834
1033	1031 - - 0 13.5381 4.6332 14.3787 H 1030 0 0 0 0.417
1034	1032 - - 0 13.5381 4.6332 13.3707 H 1030 0 0 0 0.417
1035	1033 - - 0 12.7791 4.6332 16.958 O 1034 1035 0 0 -0.834
1036	1034 - - 0 13.5381 4.6332 17.4619 H 1033 0 0 0 0.417
1037	1035 - - 0 13.5381 4.6332 16.454 H 1033 0 0 0 0.417
1038	1036 - - 0 12.7791 4.6332 20.0412 O 1037 1038 0 0 -0.834
1039	1037 - - 0 13.5381 4.6332 20.5452 H 1036 0 0 0 0.417
1040	1038 - - 0 13.5381 4.6332 19.5372 H 1036 0 0 0 0.417
1041	1039 - - 0 12.7791 4.6332 23.1245 O 1040 1041 0 0 -0.834
1042	1040 - - 0 13.5381 4.6332 23.6285 H 1039 0 0 0 0.417
1043	1041 - - 0 13.5381 4.6332 22.6205 H 1039 0 0 0 0.417
1044	1042 - - 0 12.7791 4.6332 26.2077 O 1043 1044 0 0 -0.834
1045	1043 - - 0 13.5381 4.6332 26.7117 H 1042 0 0 0 0.417
1046	1044 - - 0 13.5381 4.6332 25.7037 H 1042 0 0 0 0.417
1047	1045 - - 0 12.7791 4.6332 29.291 O 1046 1047 0 0 -0.834
1048	1046 - - 0 13.5381 4.6332 29.795 H 1045 0 0 0 0.417
1049	1047 - - 0 13.5381 4.6332 28.787 H 1045 0 0 0 0.417
1050	1048 - - 0 12.7791 4.6332 32.3743 O 1049 1050 0 0 -0.834
1051	1049 - - 0 13.5381 4.6332 32.8783 H 1048 0 0 0 0.417
1052	1050 - - 0 13.5381 4.6332 31.8703 H 1048 0 0 0 0.417
1053	1051 - - 0 12.7791 7.722 1.54163 O 1052 1053 0 0 -0.834
1054	1052 - - 0 13.5381 7.722 2.04563 H 1051 0 0 0 0.417
1055	1053 - - 0 13.5381 7.722 1.03763 H 1051 0 0 0 0.417
1056	1054 - - 0 12.7791 7.722 4.6249 O 1055 1056 0 0 -0.834
1057	1055 - - 0 13.5381 7.722 5.1289 H 1054 0 0 0 0.417
1058	1056 - - 0 13.5381 7.722 4.1209 H 1054 0 0 0 0.417
1059	1057 - - 0 12.7791 7.722 7.70816 O 1058 1059 0 0 -0.834
1060	1058 - - 0 13.5381 7.722 8.21216 H 1057 0 0 0 0.417
1061	1059 - - 0 13.5381 7.722 7.20416 H 1057 0 0 0 0.417
1062	1060 - - 0 12.7791 7.722 10.7914 O 1061 1062 0 0 -0.834
1063	1061 - - 0 13.5381 7.722 11.2954 H 1060 0 0 0 0.417
1064	1062 - - 0 13.5381 7.722 10.2874 H 1060 0 0 0 0.417
1065	1063 - - 0 12.7791 7.722 13.8747 O 1064 1065 0 0 -0.834
1066	1064 - - 0 13.5381 7.722 14.3787 H 1063 0 0 0 0.417
1067	1065 - - 0 13.5381 7.722 13.3707 H 1063 0 0 0 0.417
1068	1066 - - 0 12.7791 7.722 16.958 O 1067 1068 0 0 -0.834
1069	1067 - - 0 13.5381 7.722 17.4619 H 1066 0 0 0 0.417
1070	1068 - - 0 13.5381 7.722 16.454 H 1066 0 0 0 0.417
1071	1069 - - 0 12.7791 7.722 20.0412 O 1070 1071 0 0 -0.834
1072	1070 - - 0 13.5381 7.722 20.5452 H 1069 0 0 0 0.417
1073	1071 - - 0 13.5381 7.722 19.5372 H 1069 0 0 0 0.417
1074	1072 - - 0 12.7791 7.722 23.1245 O 1073 1074 0 0 -0.834
1075	1073 - - 0 13.5381 7.722 23.6285 H 1072 0 0 0 0.417
1076	1074 - - 0 13.5381 7.722 22.6205 H 1072 0 0 0 0.417
1077	1075 - - 0 12.7791 7.722 26.2077 O 1076 1077 0 0 -0.834
1078	1076 - - 0 13.5381 7.722 26.7117 H 1075 0 0 0 0.417
1079	1077 - - 0 13.5381 7.722 25.7037 H 1075 0 0 0 0.417
1080	1078 - - 0 12.7791 7.722 29.291 O 1079 1080 0 0 -0.834
1081	1079 - - 0 13.5381 7.722 29.795 H 1078 0 0 0 0.417
1082	1080 - - 0 13.5381 7.722 28.787 H 1078 0 0 0 0.417
1083	1081 - - 0 12.7791 7.722 32.3743 O 1082 1083 0 0 -0.834
1084	1082 - - 0 13.5381 7.722 32.8783 H 1081 0 0 0 0.417
1085	1083 - - 0 13.5381 7.722 31.8703 H 1081 0 0 0 0.417
1086	1084 - - 0 12.7791 10.8108 1.54163 O 1085 1086 0 0 -0.834
1087	1085 - - 0 13.5381 10.8108 2.04563 H 1084 0 0 0 0.417
1088	1086 - - 0 13.5381 10.8108 1.03763 H 1084 0 0 0 0.417
1089	1087 - - 0 12.7791 10.8108 4.6249 O 1088 1089 0 0 -0.834
1090	1088 - - 0 13.5381 10.8108 5.1289 H 1087 0 0 0 0.417
1091	1089 - - 0 13.5381 10.8108 4.1209 H 1087 0 0 0 0.417
1092	1090 - - 0 12.7791 10.8108 7.70816 O 1091 1092 0 0 -0.834
1093	1091 - - 0 13.5381 10.8108 8.21216 H 1090 0 0 0 0.417
1094	1092 - - 0 13.5381 10.8108 7.20416 H 1090 0 0 0 0.417
1095	1093 - - 0 12.7791 10.8108 10.7914 O 1094 1095 0 0 -0.834
1096	1094 - - 0 13.5381 10.8108 11.2954 H 1093 0 0 0 0.417
1097	1095 - - 0 13.5381 10.8108 10.2874 H 1093 0 0 0 0.417
1098	1096 - - 0 12.7791 10.8108 13.8747 O 1097 1098 0 0 -0.834
1099	1097 - - 0 13.5381 10.8108 14.3787 H 1096 0 0 0 0.417
1100	1098 - - 0 13.5381 10.8108 13.3707 H 1096 0 0 0 0.417
1101	1099 - - 0 12.7791 10.8108 16.958 O 1100 1101 0 0 -0.834
1102	1100 - - 0 13.5381 10.8108 17.4619 H 1099 0 0 0 0.417
1103	1101 - - 0 13.5381 10.8108 16.454 H 1099 0 0 0 0.417
1104	1102 - - 0 12.7791 10.8108 20.0412 O 1103 1104 0 0 -0.834
1105	1103 - - 0 13.5381 10.8108 20.5452 H 1102 0 0 0 0.417
1106	1104 - - 0 13.5381 10.8108 19.5372 H 1102 0 0 0 0.417
1107	1105 - - 0 12.7791 10.8108 23.1245 O 1106 1107 0 0 -0.834
1108	1106 - - 0 13.5381 10.8108 23.6285 H 1105 0 0 0 0.417
1109	1107 - - 0 13.5381 10.8108 22.6205 H 1105 0 0 0 0.417
1110	1108 - - 0 12.7791 10.8108 26.2077 O 1109 1110 0 0 -0.834
1111	1109 - - 0 13.5381 10.8108 26.7117 H 1108 0 0 0 0.417
1112	1110 - - 0 13.5381 10.8108 25.7037 H 1108 0 0 0 0.417
1113	1111 - - 0 12.7791 10.8108 29.291 O 1112 1113 0 0 -0.834
1114	1112 - - 0 13.5381 10.8108 29.795 H 1111 0 0 0 0.417
1115	1113 - - 0 13.5381 10.8108 28.787 H 1111 0 0 0 0.417
1116	1114 - - 0 12.7791 10.8108 32.3743 O 1115 1116 0 0 -0.834
1117	1115 - - 0 13.5381 10.8108 32.8783 H 1114 0 0 0 0.417
1118	1116 - - 0 13.5381 10.8108 31.8703 H 1114 0 0 0 0.417
1119	1117 - - 0 12.7791 13.8996 1.54163 O 1118 1119 0 0 -0.834
1120	1118 - - 0 13.5381 13.8996 2.04563 H 1117 0 0 0 0.417
1121	1119 - - 0 13.5381 13.8996 1.03763 H 1117 0 0 0 0.417
1122	1120 - - 0 12.7791 13.8996 4.6249 O 1121 1122 0 0 -0.834
1123	1121 - - 0 13.5381 13.8996 5.1289 H 1120 0 0 0 0.417
1124	1122 - - 0 13.5381 13.8996 4.1209 H 1120 0 0 0 0.417
1125	1123 - - 0 12.7791 13.8996 7.70816 O 1124 1125 0 0 -0.834
1126	1124 - - 0 13.5381 13.8996 8.21216 H 1123 0 0 0 0.417
1127	1125 - - 0 13.5381 13.8996 7.20416 H 1123 0 0 0 0.417
1128	1126 - - 0 12.7791 13.8996 10.7914 O 1127 1128 0 0 -0.834
1129	1127 - - 0 13.5381 13.8996 11.2954 H 1126 0 0 0 0.417
1130	1128 - - 0 13.5381 13.8996 10.2874 H 1126 0 0 0 0.417
1131	1129 - - 0 12.7791 13.8996 13.8747 O 1130 1131 0 0 -0.834
1132	1130 - - 0 13.5381 13.8996 14.3787 H 1129 0 0 0 0.417
1133	1131 - - 0 13.5381 13.8996 13.3707 H 1129 0 0 0 0.417
1134	1132 - - 0 12.7791 13.8996 16.958 O 1133 1134 0 0 -0.834
1135	1133 - - 0 13.5381 13.8996 17.4619 H 1132 0 0 0 0.417
1136	1134 - - 0 13.5381 13.8996 16.454 H 1132 0 0 0 0.417
1137	1135 - - 0 12.7791 13.8996 20.0412 O 1136 1137 0 0 -0.834
1138	1136 - - 0 13.5381 13.8996 20.5452 H 1135 0 0 0 0.417
1139	1137 - - 0 13.5381 13.8996 19.5372 H 1135 0 0 0 0.417
1140	1138 - - 0 12.7791 13.8996 23.1245 O 1139 1140 0 0 -0.834
1141	1139 - - 0 13.5381 13.8996 23.6285 H 1138 0 0 0 0.417
1142	1140 - - 0 13.5381 13.8996 22.6205 H 1138 0 0 0 0.417
1143	1141 - - 0 12.7791 13.8996 26.2077 O 1142 1143 0 0 -0.834
1144	1142 - - 0 13.5381 13.8996 26.7117 H 1141 0 0 0 0.417
1145	1143 - - 0 13.5381 13.8996 25.7037 H 1141 0 0 0 0.417
1146	1144 - - 0 12.7791 13.8996 29.291 O 1145 1146 0 0 -0.834
1147	1145 - - 0 13.5381 13.8996 29.795 H 1144 0 0 0 0.417
1148	1146 - - 0 13.5381 13.8996 28.787 H 1144 0 0 0 0.417
1149	1147 - - 0 12.7791 13.8996 32.3743 O 1148 1149 0 0 -0.834
1150	1148 - - 0 13.5381 13.8996 32.8783 H 1147 0 0 0 0.417
1151	1149 - - 0 13.5381 13.8996 31.8703 H 1147 0 0 0 0.417
1152	1150 - - 0 12.7791 16.9884 1.54163 O 1151 1152 0 0 -0.834
1153	1151 - - 0 13.5381 16.9884 2.04563 H 1150 0 0 0 0.417
1154	1152 - - 0 13.5381 16.9884 1.03763 H 1150 0 0 0 0.417
1155	1153 - - 0 12.7791 16.9884 4.6249 O 1154 1155 0 0 -0.834
1156	1154 - - 0 13.5381 16.9884 5.1289 H 1153 0 0 0 0.417
1157	1155 - - 0 13.5381 16.9884 4.1209 H 1153 0 0 0 0.417
1158	1156 - - 0 12.7791 16.9884 7.70816 O 1157 1158 0 0 -0.834
1159	1157 - - 0 13.5381 16.9884 8.21216 H 1156 0 0 0 0.417
1160	1158 - - 0 13.5381 16.9884 7.20416 H 1156 0 0 0 0.417
1161	1159 - - 0 12.7791 16.9884 10.7914 O 1160 1161 0 0 -0.834
1162	1160 - - 0 13.5381 16.9884 11.2954 H 1159 0 0 0 0.417
1163	1161 - - 0 13.5381 16.9884 10.2874 H 1159 0 0 0 0.417
1164	1162 - - 0 12.7791 16.9884 13.8747 O 1163 1164 0 0 -0.834
1165	1163 - - 0 13.5381 16.9884 14.3787 H 1162 0 0 0 0.417
1166	1164 - - 0 13.5381 16.9884 13.3707 H 1162 0 0 0 0.417
1167	1165 - - 0 12.7791 16.9884 16.958 O 1166 1167 0 0 -0.834
1168	1166 - - 0 13.5381 16.9884 17.4619 H 1165 0 0 0 0.417
1169	1167 - - 0 13.5381 16.9884 16.454 H 1165 0 0 0 0.417
1170	1168 - - 0 12.7791 16.9884 20.0412 O 1169 1170 0 0 -0.834
1171	1169 - - 0 13.5381 16.9884 20.5452 H 1168 0 0 0 0.417
1172	1170 - - 0 13.5381 16.9884 19.5372 H 1168 0 0 0 0.417
1173	1171 - - 0 12.7791 16.9884 23.1245 O 1172 1173 0 0 -0.834
1174	1172 - - 0 13.5381 16.9884 23.6285 H 1171 0 0 0 0.417
1175	1173 - - 0 13.5381 16.9884 22.6205 H 1171 0 0 0 0.417
1176	1174 - - 0 12.7791 16.9884 26.2077 O 1175 1176 0 0 -0.834
1177	1175 - - 0 13.5381 16.9884 26.7117 H 1174 0 0 0 0.417
1178	1176 - - 0 13.5381 16.9884 25.7037 H 1174 0 0 0 0.417
1179	1177 - - 0 12.7791 16.9884 29.291 O 1178 1179 0 0 -0.834
1180	1178 - - 0 13.5381 16.9884 29.795 H 1177 0 0 0 0.417
1181	1179 - - 0 13.5381 16.9884 28.787 H 1177 0 0 0 0.417
1182	1180 - - 0 12.7791 16.9884 32.3743 O 1181 1182 0 0 -0.834
1183	1181 - - 0 13.5381 16.9884 32.8783 H 1180 0 0 0 0.417
1184	1182 - - 0 13.5381 16.9884 31.8703 H 1180 0 0 0 0.417
1185	1183 - - 0 12.7791 20.0772 1.54163 O 1184 1185 0 0 -0.834
1186	1184 - - 0 13.5381 20.0772 2.04563 H 1183 0 0 0 0.417
1187	1185 - - 0 13.5381 20.0772 1.03763 H 1183 0 0 0 0.417
1188	1186 - - 0 12.7791 20.0772 4.6249 O 1187 1188 0 0 -0.834
1189	1187 - - 0 13.5381 20.0772 5.1289 H 1186 0 0 0 0.417
1190	1188 - - 0 13.5381 20.0772 4.1209 H 1186 0 0 0 0.417
1191	1189 - - 0 12.7791 20.0772 7.70816 O 1190 1191 0 0 -0.834
1192	1190 - - 0 13.5381 20.0772 8.21216 H 1189 0 0 0 0.417
1193	1191 - - 0 13.5381 20.0772 7.20416 H 1189 0 0 0 0.417
1194	1192 - - 0 12.7791 20.0772 10.7914 O 1193 1194 0 0 -0.834
1195	1193 - - 0 13.5381 20.0772 11.2954 H 1192 0 0 0 0.417
1196	1194 - - 0 13.5381 20.0772 10.2874 H 1192 0 0 0 0.417
1197	1195 - - 0 12.7791 20.0772 13.8747 O 1196 1197 0 0 -0.834
1198	1196 - - 0 13.5381 20.0772 14.3787 H 1195 0 0 0 0.417
1199	1197 - - 0 13.5381 20.0772 13.3707 H 1195 0 0 0 0.417
1200	1198 - - 0 12.7791 20.0772 16.958 O 1199 1200 0 0 -0.834
1201	1199 - - 0 13.5381 20.0772 17.4619 H 1198 0 0 0 0.417
1202	1200 - - 0 13.5381 20.0772 16.454 H 1198 0 0 0 0.417
1203	1201 - - 0 12.7791 20.0772 20.0412 O 1202 1203 0 0 -0.834
1204	1202 - - 0 13.5381 20.0772 20.5452 H 1201 0 0 0 0.417
1205	1203 - - 0 13.5381 20.0772 19.5372 H 1201 0 0 0 0.417
1206	1204 - - 0 12.7791 20.0772 23.1245 O 1205 1206 0 0 -0.834
1207	1205 - - 0 13.5381 20.0772 23.6285 H 1204 0 0 0 0.417
1208	1206 - - 0 13.5381 20.0772 22.6205 H 1204 0 0 0 0.417
1209	1207 - - 0 12.7791 20.0772 26.2077 O 1208 1209 0 0 -0.834
1210	1208 - - 0 13.5381 20.0772 26.7117 H 1207 0 0 0 0.417
1211	1209 - - 0 13.5381 20.0772 25.7037 H 1207 0 0 0 0.417
1212	1210 - - 0 12.7791 20.0772 29.291 O 1211 1212 0 0 -0.834
1213	1211 - - 0 13.5381 20.0772 29.795 H 1210 0 0 0 0.417
1214	1212 - - 0 13.5381 20.0772 28.787 H 1210 0 0 0 0.417
1215	1213 - - 0 12.7791 20.0772 32.3743 O 1214 1215 0 0 -0.834
1216	1214 - - 0 13.5381 20.0772 32.8783 H 1213 0 0 0 0.417
1217	1215 - - 0 13.5381 20.0772 31.8703 H 1213 0 0 0 0.417

Note: See TracBrowser for help on using the repository browser.

Download in other formats:

Original Format