REMARK Name = BDB065058 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.169 1.160 -2.803 0.00 0.00 +0.162 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 1.928 -0.079 -2.931 0.00 0.00 -0.288 N ATOM 3 C LIG 1 2.844 -0.431 -1.903 0.00 0.00 +0.148 A ATOM 4 C LIG 1 3.532 -1.631 -2.007 0.00 0.00 +0.036 A ATOM 5 C LIG 1 4.404 -1.916 -0.977 0.00 0.00 +0.124 A ATOM 6 N LIG 1 4.604 -1.106 0.079 0.00 0.00 -0.235 NA ATOM 7 C LIG 1 3.897 0.037 0.083 0.00 0.00 +0.166 A ATOM 8 C LIG 1 3.333 -2.520 -3.140 0.00 0.00 +0.018 A ATOM 9 C LIG 1 2.470 -2.164 -4.096 0.00 0.00 +0.071 A ATOM 10 N LIG 1 3.023 0.414 -0.867 0.00 0.00 -0.209 NA ATOM 11 C LIG 1 1.708 -0.891 -4.029 0.00 0.00 +0.253 A ATOM 12 O LIG 1 0.932 -0.635 -4.948 0.00 0.00 -0.268 OA BRANCH 7 13 ATOM 13 C LIG 1 4.079 0.935 1.208 0.00 0.00 +0.073 A ATOM 14 C LIG 1 3.215 0.952 2.313 0.00 0.00 +0.054 A ATOM 15 CL LIG 1 1.866 -0.127 2.436 0.00 0.00 -0.083 Cl ATOM 16 C LIG 1 3.419 1.848 3.373 0.00 0.00 +0.021 A ATOM 17 C LIG 1 4.492 2.737 3.346 0.00 0.00 +0.004 A ATOM 18 C LIG 1 5.362 2.728 2.261 0.00 0.00 +0.039 A ATOM 19 C LIG 1 5.150 1.836 1.210 0.00 0.00 +0.135 A ATOM 20 F LIG 1 6.008 1.864 0.178 0.00 0.00 -0.205 F ENDBRANCH 7 13 ENDBRANCH 1 2 BRANCH 1 24 ATOM 21 C LIG 1 -2.429 0.620 -0.453 0.00 0.00 +0.017 A ATOM 22 C LIG 1 -2.404 0.252 -1.802 0.00 0.00 +0.012 A ATOM 23 C LIG 1 -1.244 0.426 -2.561 0.00 0.00 +0.006 A ATOM 24 C LIG 1 -0.095 0.989 -1.987 0.00 0.00 -0.028 A ATOM 25 C LIG 1 -0.136 1.384 -0.643 0.00 0.00 +0.006 A ATOM 26 C LIG 1 -1.296 1.208 0.116 0.00 0.00 +0.012 A BRANCH 21 28 ATOM 27 N LIG 1 -3.938 -0.637 1.148 0.00 0.00 -0.327 N ATOM 28 C LIG 1 -3.645 0.438 0.332 0.00 0.00 +0.142 A ATOM 29 N LIG 1 -4.644 1.303 0.343 0.00 0.00 -0.224 NA ATOM 30 C LIG 1 -5.613 0.800 1.193 0.00 0.00 +0.162 A ATOM 31 C LIG 1 -5.179 -0.410 1.698 0.00 0.00 +0.120 A BRANCH 30 32 ATOM 32 C LIG 1 -6.904 1.518 1.458 0.00 0.00 +0.436 C ATOM 33 F LIG 1 -6.720 2.818 1.810 0.00 0.00 -0.164 F ATOM 34 F LIG 1 -7.600 0.941 2.478 0.00 0.00 -0.164 F ATOM 35 F LIG 1 -7.731 1.508 0.379 0.00 0.00 -0.164 F ENDBRANCH 30 32 BRANCH 27 37 ATOM 36 C LIG 1 -1.938 -1.541 2.320 0.00 0.00 +0.030 C ATOM 37 C LIG 1 -3.149 -1.833 1.435 0.00 0.00 +0.083 C ATOM 38 C LIG 1 -2.769 -2.641 0.195 0.00 0.00 +0.030 C ENDBRANCH 27 37 ENDBRANCH 21 28 ENDBRANCH 1 24 TORSDOF 6