REMARK Name = BDB009641 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.216 -2.212 -1.693 0.00 0.00 +0.021 C ATOM 2 C LIG 1 0.149 -2.340 -0.203 0.00 0.00 +0.055 C ATOM 3 C LIG 1 1.360 -1.437 0.095 0.00 0.00 +0.223 C ATOM 4 O LIG 1 2.494 -1.920 0.065 0.00 0.00 -0.275 OA ATOM 5 N LIG 1 1.126 -0.077 0.351 0.00 0.00 -0.288 N ATOM 6 C LIG 1 -0.253 0.452 0.232 0.00 0.00 +0.114 C ATOM 7 C LIG 1 -1.305 -0.478 0.903 0.00 0.00 +0.045 C ATOM 8 C LIG 1 -1.023 -1.979 0.723 0.00 0.00 +0.026 C ENDROOT BRANCH 6 9 ATOM 9 C LIG 1 -0.417 1.869 0.801 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -0.131 2.157 2.148 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -0.302 3.449 2.652 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -0.763 4.462 1.815 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 -0.973 6.053 2.435 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -1.054 4.196 0.479 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -0.881 2.906 -0.027 0.00 0.00 +0.007 A ENDBRANCH 6 9 BRANCH 7 16 ATOM 16 C LIG 1 -2.742 -0.124 0.521 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -3.624 0.349 1.508 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -4.935 0.697 1.180 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -5.995 1.281 2.404 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -5.391 0.577 -0.129 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -4.528 0.107 -1.117 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -3.214 -0.239 -0.795 0.00 0.00 +0.004 A ENDBRANCH 7 16 BRANCH 5 23 ATOM 23 C LIG 1 2.248 0.865 0.099 0.00 0.00 +0.108 C ATOM 24 C LIG 1 2.538 1.146 -1.401 0.00 0.00 +0.163 C ATOM 25 C LIG 1 4.063 1.301 -1.469 0.00 0.00 +0.145 C ATOM 26 C LIG 1 4.575 0.319 -0.427 0.00 0.00 +0.036 C ATOM 27 C LIG 1 3.614 0.514 0.739 0.00 0.00 +0.028 C BRANCH 24 28 ATOM 28 O LIG 1 2.108 0.089 -2.265 0.00 0.00 -0.387 OA ATOM 29 H LIG 1 2.811 0.023 -2.945 0.00 0.00 +0.210 HD ENDBRANCH 24 28 BRANCH 25 30 ATOM 30 O LIG 1 4.540 0.995 -2.773 0.00 0.00 -0.389 OA ATOM 31 H LIG 1 5.511 0.935 -2.718 0.00 0.00 +0.210 HD ENDBRANCH 25 30 ENDBRANCH 5 23 BRANCH 2 32 ATOM 32 C LIG 1 0.592 -3.807 0.065 0.00 0.00 +0.136 C BRANCH 32 33 ATOM 33 C LIG 1 -0.504 -4.824 -0.078 0.00 0.00 +0.306 C ATOM 34 O LIG 1 -1.316 -5.133 0.778 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -0.546 -5.388 -1.299 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 -1.289 -6.024 -1.245 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 8