REMARK Name = LIG000887 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.071 -2.907 -0.172 0.00 0.00 +0.027 C ATOM 2 C LIG 1 1.380 -4.417 -0.091 0.00 0.00 +0.006 C ATOM 3 C LIG 1 1.816 -5.033 1.319 0.00 0.00 -0.029 C ATOM 4 C LIG 1 0.267 -4.969 1.610 0.00 0.00 -0.004 C ATOM 5 C LIG 1 -0.280 -3.587 1.997 0.00 0.00 +0.009 C ATOM 6 C LIG 1 2.687 -4.250 2.304 0.00 0.00 +0.011 C ATOM 7 C LIG 1 2.420 -6.449 1.210 0.00 0.00 +0.011 C ATOM 8 C LIG 1 0.058 -5.245 0.101 0.00 0.00 +0.009 C ATOM 9 C LIG 1 0.080 -2.489 0.961 0.00 0.00 +0.016 C ATOM 10 C LIG 1 -1.179 -1.983 0.233 0.00 0.00 +0.113 C ATOM 11 N LIG 1 -0.706 -1.594 -1.108 0.00 0.00 -0.176 NA ATOM 12 C LIG 1 0.321 -2.588 -1.492 0.00 0.00 +0.120 C ENDROOT BRANCH 11 13 ATOM 13 S LIG 1 -1.888 -1.301 -2.291 0.00 0.00 +0.061 S ATOM 14 O LIG 1 -2.818 -2.411 -2.270 0.00 0.00 -0.153 OA ATOM 15 O LIG 1 -1.212 -0.913 -3.511 0.00 0.00 -0.153 OA BRANCH 13 16 ATOM 16 C LIG 1 -2.705 0.137 -1.651 0.00 0.00 +0.105 A ATOM 17 C LIG 1 -3.976 0.035 -1.093 0.00 0.00 +0.029 A ATOM 18 C LIG 1 -4.601 1.183 -0.597 0.00 0.00 +0.006 A ATOM 19 C LIG 1 -3.978 2.448 -0.655 0.00 0.00 -0.042 A ATOM 20 C LIG 1 -2.700 2.517 -1.239 0.00 0.00 +0.006 A ATOM 21 C LIG 1 -2.067 1.374 -1.736 0.00 0.00 +0.029 A BRANCH 19 22 ATOM 22 C LIG 1 -4.704 3.688 -0.100 0.00 0.00 -0.013 C ATOM 23 C LIG 1 -6.029 3.899 -0.865 0.00 0.00 +0.015 C ATOM 24 C LIG 1 -3.891 4.997 -0.224 0.00 0.00 +0.015 C ATOM 25 C LIG 1 -5.010 3.483 1.399 0.00 0.00 +0.015 C ENDBRANCH 19 22 ENDBRANCH 13 16 ENDBRANCH 11 13 BRANCH 1 26 ATOM 26 C LIG 1 2.384 -2.088 -0.163 0.00 0.00 +0.242 C BRANCH 26 27 ATOM 27 O LIG 1 2.096 -0.688 -0.305 0.00 0.00 -0.450 OA BRANCH 27 30 ATOM 28 N LIG 1 2.735 1.405 -0.495 0.00 0.00 -0.251 N ATOM 29 H LIG 1 1.729 1.464 -0.574 0.00 0.00 +0.158 HD ATOM 30 C LIG 1 3.183 0.127 -0.330 0.00 0.00 +0.405 C ATOM 31 O LIG 1 4.332 -0.268 -0.220 0.00 0.00 -0.226 OA BRANCH 28 35 ATOM 32 C LIG 1 4.829 5.050 -0.758 0.00 0.00 +0.025 A ATOM 33 C LIG 1 3.438 5.008 -0.850 0.00 0.00 +0.018 A ATOM 34 C LIG 1 2.768 3.783 -0.760 0.00 0.00 +0.024 A ATOM 35 C LIG 1 3.480 2.591 -0.577 0.00 0.00 +0.037 A ATOM 36 C LIG 1 4.872 2.641 -0.486 0.00 0.00 +0.024 A ATOM 37 C LIG 1 5.544 3.866 -0.576 0.00 0.00 +0.018 A BRANCH 32 39 ATOM 38 C LIG 1 6.097 7.349 -0.929 0.00 0.00 +0.009 C ATOM 39 C LIG 1 5.518 6.300 -0.851 0.00 0.00 -0.070 C ENDBRANCH 32 39 ENDBRANCH 28 35 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 8