REMARK Name = BDB007410 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.644 1.436 -2.502 0.00 0.00 +0.106 C ATOM 2 N LIG 1 -1.031 1.198 -1.206 0.00 0.00 -0.290 NA ATOM 3 C LIG 1 -1.956 0.885 -0.103 0.00 0.00 +0.078 C ATOM 4 C LIG 1 -1.522 -0.530 0.394 0.00 0.00 +0.098 C ATOM 5 C LIG 1 -2.406 -1.631 -0.195 0.00 0.00 -0.006 A ATOM 6 C LIG 1 -3.034 -2.325 0.843 0.00 0.00 +0.041 A ATOM 7 C LIG 1 -3.897 -3.384 0.638 0.00 0.00 +0.065 A ATOM 8 C LIG 1 -4.133 -3.756 -0.679 0.00 0.00 +0.160 A ATOM 9 C LIG 1 -3.521 -3.078 -1.737 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -3.756 -3.460 -2.998 0.00 0.00 -0.202 F ATOM 11 F LIG 1 -4.955 -4.783 -0.931 0.00 0.00 -0.202 F ATOM 12 N LIG 1 -2.652 -1.804 2.062 0.00 0.00 -0.284 N ATOM 13 H LIG 1 -2.934 -2.145 2.970 0.00 0.00 +0.155 HD ATOM 14 C LIG 1 -2.655 -2.007 -1.506 0.00 0.00 +0.047 A ATOM 15 C LIG 1 -1.739 -0.771 1.919 0.00 0.00 +0.230 C ATOM 16 O LIG 1 -1.211 -0.195 2.854 0.00 0.00 -0.274 OA ATOM 17 C LIG 1 -0.014 -0.580 0.056 0.00 0.00 +0.069 C ATOM 18 C LIG 1 0.083 0.222 -1.257 0.00 0.00 +0.152 C ENDROOT BRANCH 17 19 ATOM 19 C LIG 1 0.624 -1.966 0.082 0.00 0.00 -0.004 A ATOM 20 C LIG 1 1.245 -2.406 1.267 0.00 0.00 +0.145 A ATOM 21 F LIG 1 1.289 -1.579 2.325 0.00 0.00 -0.204 F ATOM 22 C LIG 1 1.832 -3.670 1.361 0.00 0.00 +0.076 A ATOM 23 CL LIG 1 2.589 -4.180 2.822 0.00 0.00 -0.081 Cl ATOM 24 C LIG 1 1.811 -4.529 0.264 0.00 0.00 +0.023 A ATOM 25 C LIG 1 1.202 -4.117 -0.922 0.00 0.00 +0.002 A ATOM 26 C LIG 1 0.616 -2.848 -1.014 0.00 0.00 +0.007 A ENDBRANCH 17 19 BRANCH 18 27 ATOM 27 C LIG 1 1.434 0.980 -1.386 0.00 0.00 +0.231 C ATOM 28 N LIG 1 2.550 0.158 -1.425 0.00 0.00 -0.314 N ATOM 29 H LIG 1 2.410 -0.825 -1.628 0.00 0.00 +0.149 HD ATOM 30 O LIG 1 1.532 2.204 -1.467 0.00 0.00 -0.274 OA BRANCH 28 31 ATOM 31 C LIG 1 3.866 0.700 -1.724 0.00 0.00 +0.107 C BRANCH 31 32 ATOM 32 C LIG 1 4.976 -0.108 -1.069 0.00 0.00 +0.052 C BRANCH 32 33 ATOM 33 C LIG 1 5.300 0.329 0.358 0.00 0.00 +0.141 C BRANCH 33 34 ATOM 34 O LIG 1 6.352 -0.519 0.839 0.00 0.00 -0.389 OA ATOM 35 H LIG 1 6.346 -0.379 1.812 0.00 0.00 +0.210 HD ENDBRANCH 33 34 BRANCH 33 36 ATOM 36 C LIG 1 4.127 0.250 1.347 0.00 0.00 +0.187 C BRANCH 36 37 ATOM 37 O LIG 1 4.639 0.551 2.648 0.00 0.00 -0.392 OA ATOM 38 H LIG 1 3.936 1.073 3.118 0.00 0.00 +0.210 HD ENDBRANCH 36 37 ENDBRANCH 33 36 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 18 27 BRANCH 3 39 ATOM 39 C LIG 1 -1.844 1.980 0.998 0.00 0.00 +0.026 C BRANCH 39 40 ATOM 40 C LIG 1 -2.233 3.459 0.700 0.00 0.00 -0.036 C ATOM 41 C LIG 1 -3.644 3.563 0.102 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -1.217 4.172 -0.207 0.00 0.00 +0.010 C ATOM 43 C LIG 1 -2.232 4.212 2.051 0.00 0.00 +0.010 C ENDBRANCH 39 40 ENDBRANCH 3 39 TORSDOF 10