# ATOMDATA Id name resName chainID x=3 type neighbors=4 charge # Box 20 0 0 0 20 0 0 0 20 1 NA SLES 1 8.57749 6.18185 23.6484 NA 0 0 0 0 1 2 S SLES 1 6.82995 9.13426 22.3915 SL 3 4 5 6 1.33 3 OS1 SLES 1 7.59547 8.0028 21.4213 OSL 2 7 0 0 -0.28 4 OS2 SLES 1 5.84317 8.40868 23.1643 O2L 2 0 0 0 -0.65 5 OS3 SLES 1 7.84967 9.66664 23.2709 O2L 2 0 0 0 -0.65 6 OS4 SLES 1 6.18974 10.2179 21.6633 O2L 2 0 0 0 -0.65 7 C2 SLES 1 7.28013 8.2549 19.987 CC32A 3 8 9 10 -0.11 8 H2A SLES 1 6.16671 8.27034 19.822 HCA2 7 0 0 0 0.09 9 H2B SLES 1 7.70512 9.25609 19.6985 HCA2 7 0 0 0 0.09 10 C1 SLES 1 7.94351 7.10644 19.0888 CC32A 7 11 12 13 -0.01 11 H1B SLES 1 7.59106 6.10629 19.4313 HCA2 10 0 0 0 0.09 12 H1A SLES 1 9.05397 7.14679 19.1805 HCA2 10 0 0 0 0.09 13 O1 SLES 1 7.69752 7.06775 17.6342 OC30A 10 14 0 0 -0.34 14 C2 SLES 1 7.2059 8.28268 17.0302 CC32A 13 15 16 17 -0.01 15 H2A SLES 1 6.2472 8.42857 17.5654 HCA2 14 0 0 0 0.09 16 H2B SLES 1 7.93654 9.04181 17.3897 HCA2 14 0 0 0 0.09 17 C1 SLES 1 6.97723 8.46041 15.4961 CC32A 14 18 19 20 -0.01 18 H1B SLES 1 5.93475 8.17418 15.2366 HCA2 17 0 0 0 0.09 19 H1A SLES 1 7.13174 9.52372 15.2239 HCA2 17 0 0 0 0.09 20 O1 SLES 1 7.70832 7.69954 14.4815 OC30A 17 21 0 0 -0.34 21 C1 SLES 1 7.90467 8.39941 13.1987 CTL2 20 22 23 24 -0.18 22 H11 SLES 1 7.27479 9.30707 13.2228 HAL2 21 0 0 0 0.09 23 H12 SLES 1 8.96908 8.70282 13.2777 HAL2 21 0 0 0 0.09 24 C2 SLES 1 7.66768 7.62565 11.8417 CTL2 21 25 26 27 -0.18 25 H21 SLES 1 7.32349 6.59147 12.0671 HAL2 24 0 0 0 0.09 26 H22 SLES 1 8.6325 7.55355 11.2935 HAL2 24 0 0 0 0.09 27 C3 SLES 1 6.58179 8.34671 10.904 CTL2 24 28 29 30 -0.18 28 H31 SLES 1 5.62383 7.78341 10.9615 HAL2 27 0 0 0 0.09 29 H32 SLES 1 6.39746 9.37058 11.286 HAL2 27 0 0 0 0.09 30 C4 SLES 1 7.03468 8.43723 9.38776 CTL2 27 31 32 33 -0.18 31 H41 SLES 1 6.50704 7.65185 8.80732 HAL2 30 0 0 0 0.09 32 H42 SLES 1 8.12588 8.2378 9.32029 HAL2 30 0 0 0 0.09 33 C5 SLES 1 6.72718 9.86165 8.73873 CTL2 30 34 35 36 -0.18 34 H51 SLES 1 5.97341 10.3901 9.36322 HAL2 33 0 0 0 0.09 35 H52 SLES 1 7.6603 10.4701 8.7406 HAL2 33 0 0 0 0.09 36 C6 SLES 1 6.18521 9.75966 7.26317 CTL2 33 37 38 39 -0.18 37 H61 SLES 1 5.1428 9.36986 7.28565 HAL2 36 0 0 0 0.09 38 H62 SLES 1 6.1601 10.7806 6.8153 HAL2 36 0 0 0 0.09 39 C7 SLES 1 7.05715 8.83021 6.36088 CTL2 36 40 41 42 -0.18 40 H71 SLES 1 6.772 7.77129 6.54832 HAL2 39 0 0 0 0.09 41 H72 SLES 1 8.12753 8.95224 6.6397 HAL2 39 0 0 0 0.09 42 C8 SLES 1 6.89057 9.13653 4.85159 CTL2 39 43 44 45 -0.18 43 H81 SLES 1 5.80586 9.23806 4.61813 HAL2 42 0 0 0 0.09 44 H82 SLES 1 7.38463 10.1077 4.62071 HAL2 42 0 0 0 0.09 45 C9 SLES 1 7.50052 8.03185 3.95272 CTL2 42 46 47 48 -0.18 46 H91 SLES 1 7.02693 7.05591 4.20491 HAL2 45 0 0 0 0.09 47 H92 SLES 1 8.59002 7.95035 4.1668 HAL2 45 0 0 0 0.09 48 C10 SLES 1 7.30225 8.31363 2.44452 CTL2 45 49 50 51 -0.18 49 H10 SLES 1 6.2116 8.37202 2.22578 HAL2 48 0 0 0 0.09 50 H10 SLES 1 7.75619 9.29965 2.19604 HAL2 48 0 0 0 0.09 51 C11 SLES 1 7.94116 7.22096 1.54684 CTL2 48 52 53 54 -0.18 52 H11 SLES 1 7.47902 6.23795 1.79433 HAL2 51 0 0 0 0.09 53 H11 SLES 1 9.02797 7.15391 1.78194 HAL2 51 0 0 0 0.09 54 C12 SLES 1 7.77377 7.4835 0.0277604 CTL3 51 55 56 57 -0.27 55 H12 SLES 1 7.22332 6.6439 -0.451223 HAL3 54 0 0 0 0.09 56 H12 SLES 1 8.76894 7.57887 -0.459958 HAL3 54 0 0 0 0.09 57 H12 SLES 1 7.20436 8.42318 -0.14226 HAL3 54 0 0 0 0.09