REMARK Name = BDB061252 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.375 -3.196 -0.042 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -2.146 -2.303 -0.812 0.00 0.00 +0.151 A ATOM 3 C LIG 1 -2.820 -2.742 -1.953 0.00 0.00 +0.106 A ATOM 4 C LIG 1 -3.593 -1.764 -2.730 0.00 0.00 +0.197 A ATOM 5 C LIG 1 -3.518 -0.356 -2.309 0.00 0.00 +0.098 A ATOM 6 C LIG 1 -2.808 -0.049 -1.215 0.00 0.00 +0.139 A ATOM 7 O LIG 1 -4.247 -2.107 -3.710 0.00 0.00 -0.287 OA ATOM 8 C LIG 1 -2.733 -4.079 -2.347 0.00 0.00 +0.135 A ATOM 9 C LIG 1 -1.971 -4.976 -1.607 0.00 0.00 +0.092 A ATOM 10 O LIG 1 -2.195 -0.992 -0.405 0.00 0.00 -0.454 OA ATOM 11 C LIG 1 -1.300 -4.532 -0.465 0.00 0.00 +0.128 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -2.593 1.346 -0.770 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -2.327 2.377 -1.690 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -2.055 3.682 -1.252 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -2.038 3.957 0.111 0.00 0.00 +0.117 A ATOM 16 C LIG 1 -2.295 2.955 1.039 0.00 0.00 +0.046 A ATOM 17 C LIG 1 -2.570 1.653 0.601 0.00 0.00 +0.015 A BRANCH 15 18 ATOM 18 O LIG 1 -1.766 5.207 0.583 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 -1.681 5.821 -0.168 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 6 12 BRANCH 8 20 ATOM 20 O LIG 1 -3.368 -4.576 -3.454 0.00 0.00 -0.506 OA ATOM 21 H LIG 1 -3.885 -3.846 -3.866 0.00 0.00 +0.292 HD ENDBRANCH 8 20 BRANCH 11 22 ATOM 22 O LIG 1 -0.569 -5.424 0.271 0.00 0.00 -0.506 OA ATOM 23 H LIG 1 -0.537 -6.276 -0.196 0.00 0.00 +0.292 HD ENDBRANCH 11 22 BRANCH 1 24 ATOM 24 C LIG 1 -0.654 -2.729 1.210 0.00 0.00 +0.127 C BRANCH 24 30 ATOM 25 O LIG 1 4.646 0.569 2.619 0.00 0.00 -0.270 OA ATOM 26 C LIG 1 3.744 0.730 1.802 0.00 0.00 +0.247 C ATOM 27 N LIG 1 2.797 -0.240 1.489 0.00 0.00 -0.295 N ATOM 28 C LIG 1 2.812 -1.498 2.232 0.00 0.00 +0.123 C ATOM 29 C LIG 1 1.402 -2.113 2.312 0.00 0.00 +0.104 C ATOM 30 N LIG 1 0.732 -2.256 0.993 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 0.766 -0.965 0.273 0.00 0.00 +0.104 C ATOM 32 C LIG 1 2.174 -0.358 0.171 0.00 0.00 +0.123 C BRANCH 26 33 ATOM 33 C LIG 1 3.622 2.060 1.155 0.00 0.00 +0.037 A ATOM 34 C LIG 1 4.750 2.636 0.559 0.00 0.00 +0.014 A ATOM 35 C LIG 1 4.648 3.894 -0.044 0.00 0.00 +0.021 A ATOM 36 C LIG 1 3.425 4.575 -0.030 0.00 0.00 +0.041 A ATOM 37 CL LIG 1 3.302 6.120 -0.782 0.00 0.00 -0.084 Cl ATOM 38 C LIG 1 2.304 4.016 0.590 0.00 0.00 +0.021 A ATOM 39 C LIG 1 2.402 2.757 1.190 0.00 0.00 +0.014 A ENDBRANCH 26 33 ENDBRANCH 24 30 ENDBRANCH 1 24 TORSDOF 7