REMARK Name = BDB047276 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.040 -3.019 -1.378 0.00 0.00 +0.068 C ATOM 2 C LIG 1 -4.107 -1.654 -0.681 0.00 0.00 +0.203 C ATOM 3 O LIG 1 -2.771 -1.137 -0.690 0.00 0.00 -0.474 OA ATOM 4 C LIG 1 -2.640 0.199 -0.422 0.00 0.00 +0.129 A ATOM 5 C LIG 1 -3.700 1.107 -0.486 0.00 0.00 -0.005 A ATOM 6 C LIG 1 -3.459 2.452 -0.185 0.00 0.00 +0.011 A ATOM 7 C LIG 1 -2.171 2.878 0.148 0.00 0.00 +0.046 A ATOM 8 C LIG 1 -1.109 1.973 0.189 0.00 0.00 +0.124 A ATOM 9 C LIG 1 -5.084 0.657 -0.847 0.00 0.00 +0.043 C ATOM 10 C LIG 1 -1.349 0.630 -0.101 0.00 0.00 +0.091 A ATOM 11 C LIG 1 -5.052 -0.733 -1.469 0.00 0.00 +0.064 C ENDROOT BRANCH 2 12 ATOM 12 C LIG 1 -4.641 -1.915 0.739 0.00 0.00 +0.349 C ATOM 13 O LIG 1 -5.811 -1.873 1.093 0.00 0.00 -0.246 OA BRANCH 12 14 ATOM 14 O LIG 1 -3.687 -2.262 1.629 0.00 0.00 -0.478 OA ATOM 15 H LIG 1 -4.170 -2.383 2.472 0.00 0.00 +0.295 HD ENDBRANCH 12 14 ENDBRANCH 2 12 BRANCH 8 16 ATOM 16 O LIG 1 0.098 2.523 0.524 0.00 0.00 -0.492 OA BRANCH 16 17 ATOM 17 C LIG 1 1.216 1.635 0.594 0.00 0.00 +0.232 C BRANCH 17 18 ATOM 18 C LIG 1 2.438 2.462 0.985 0.00 0.00 +0.082 C BRANCH 18 19 ATOM 19 C LIG 1 3.671 1.597 1.215 0.00 0.00 +0.232 C BRANCH 19 20 ATOM 20 O LIG 1 3.965 0.886 0.015 0.00 0.00 -0.490 OA BRANCH 20 21 ATOM 21 C LIG 1 4.993 -0.019 0.037 0.00 0.00 +0.139 A ATOM 22 C LIG 1 5.157 -0.817 -1.110 0.00 0.00 +0.085 A ATOM 23 CL LIG 1 4.096 -0.665 -2.469 0.00 0.00 -0.080 Cl ATOM 24 C LIG 1 6.179 -1.764 -1.185 0.00 0.00 +0.062 A ATOM 25 C LIG 1 7.043 -1.911 -0.110 0.00 0.00 +0.125 A ATOM 26 F LIG 1 8.027 -2.817 -0.173 0.00 0.00 -0.205 F ATOM 27 C LIG 1 6.904 -1.133 1.033 0.00 0.00 +0.042 A ATOM 28 C LIG 1 5.880 -0.184 1.108 0.00 0.00 +0.050 A ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 8 16 TORSDOF 8