REMARK Name = BDB063382 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.784 0.346 -1.488 0.00 0.00 +0.104 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -1.077 -0.451 -0.304 0.00 0.00 -0.340 N ATOM 3 H LIG 1 -0.328 -1.079 -0.008 0.00 0.00 +0.146 HD BRANCH 2 16 ATOM 4 O LIG 1 -3.564 0.382 -1.511 0.00 0.00 -0.285 OA ATOM 5 C LIG 1 -3.587 -0.333 -0.513 0.00 0.00 +0.210 C ATOM 6 C LIG 1 -4.893 -0.671 0.064 0.00 0.00 +0.053 A ATOM 7 C LIG 1 -5.010 -1.598 1.077 0.00 0.00 +0.123 A ATOM 8 N LIG 1 -6.203 -1.950 1.631 0.00 0.00 -0.251 NA ATOM 9 C LIG 1 -7.313 -1.351 1.150 0.00 0.00 +0.111 A ATOM 10 C LIG 1 -7.292 -0.411 0.135 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -3.811 -2.276 1.612 0.00 0.00 +0.225 C ATOM 12 O LIG 1 -3.905 -3.177 2.438 0.00 0.00 -0.284 OA ATOM 13 C LIG 1 -2.495 -1.803 1.106 0.00 0.00 +0.114 C ATOM 14 CL LIG 1 -1.100 -2.514 1.871 0.00 0.00 -0.077 Cl ATOM 15 C LIG 1 -6.061 -0.067 -0.418 0.00 0.00 +0.015 A ATOM 16 C LIG 1 -2.337 -0.888 0.130 0.00 0.00 +0.097 C ENDBRANCH 2 16 ENDBRANCH 1 2 BRANCH 1 17 ATOM 17 C LIG 1 0.719 0.642 -1.597 0.00 0.00 +0.053 C BRANCH 17 18 ATOM 18 C LIG 1 1.191 1.942 -0.894 0.00 0.00 +0.070 C ATOM 19 C LIG 1 2.715 2.143 -1.113 0.00 0.00 +0.054 C ATOM 20 C LIG 1 3.549 1.853 0.134 0.00 0.00 +0.110 C ATOM 21 N LIG 1 2.982 0.746 0.892 0.00 0.00 -0.301 N ATOM 22 C LIG 1 3.645 -0.424 1.231 0.00 0.00 +0.225 C ATOM 23 O LIG 1 3.160 -1.288 1.954 0.00 0.00 -0.275 OA ATOM 24 C LIG 1 1.627 0.945 1.401 0.00 0.00 +0.110 C ATOM 25 C LIG 1 0.860 1.997 0.605 0.00 0.00 +0.054 C BRANCH 22 26 ATOM 26 C LIG 1 5.003 -0.629 0.689 0.00 0.00 +0.150 C ATOM 27 C LIG 1 5.163 -0.986 -0.741 0.00 0.00 +0.261 C ATOM 28 F LIG 1 6.184 -0.427 -1.474 0.00 0.00 -0.205 F ATOM 29 F LIG 1 4.075 -1.093 -1.575 0.00 0.00 -0.205 F ATOM 30 C LIG 1 5.446 -2.026 0.267 0.00 0.00 +0.095 C ENDBRANCH 22 26 BRANCH 18 31 ATOM 31 O LIG 1 0.519 3.049 -1.515 0.00 0.00 -0.388 OA ATOM 32 H LIG 1 0.751 3.059 -2.461 0.00 0.00 +0.210 HD ENDBRANCH 18 31 ENDBRANCH 17 18 ENDBRANCH 1 17 TORSDOF 6