REMARK Name = BDB062505 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.424 -1.633 -1.505 0.00 0.00 +0.122 A ATOM 2 C LIG 1 1.179 -1.083 -1.187 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -0.016 -1.704 -1.603 0.00 0.00 -0.014 A ATOM 4 C LIG 1 0.071 -2.891 -2.346 0.00 0.00 +0.009 A ATOM 5 C LIG 1 1.311 -3.442 -2.669 0.00 0.00 +0.004 A ATOM 6 C LIG 1 2.481 -2.813 -2.248 0.00 0.00 +0.046 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.324 -1.121 -1.265 0.00 0.00 -0.017 A ATOM 8 C LIG 1 -2.281 -1.860 -0.551 0.00 0.00 +0.017 A ATOM 9 C LIG 1 -3.536 -1.318 -0.220 0.00 0.00 -0.017 A ATOM 10 C LIG 1 -3.848 0.002 -0.613 0.00 0.00 -0.014 A ATOM 11 C LIG 1 -5.104 0.547 -0.284 0.00 0.00 +0.054 A ATOM 12 C LIG 1 -6.044 -0.202 0.427 0.00 0.00 +0.121 A ATOM 13 C LIG 1 -5.727 -1.503 0.814 0.00 0.00 +0.046 A ATOM 14 C LIG 1 -2.894 0.742 -1.327 0.00 0.00 +0.009 A ATOM 15 C LIG 1 -4.487 -2.059 0.495 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -1.651 0.188 -1.647 0.00 0.00 +0.009 A BRANCH 12 17 ATOM 17 O LIG 1 -7.290 0.216 0.804 0.00 0.00 -0.492 OA BRANCH 17 18 ATOM 18 C LIG 1 -7.684 1.530 0.417 0.00 0.00 +0.232 C BRANCH 18 19 ATOM 19 C LIG 1 -9.069 1.770 0.938 0.00 0.00 +0.027 C ATOM 20 C LIG 1 -9.981 2.763 0.265 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -10.272 1.290 0.167 0.00 0.00 +0.007 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 12 17 ENDBRANCH 3 7 BRANCH 1 22 ATOM 22 O LIG 1 3.644 -1.123 -1.154 0.00 0.00 -0.487 OA BRANCH 22 23 ATOM 23 C LIG 1 3.652 0.068 -0.370 0.00 0.00 +0.264 C BRANCH 23 28 ATOM 24 C LIG 1 7.763 1.089 0.564 0.00 0.00 +0.156 A ATOM 25 C LIG 1 6.930 1.989 -0.108 0.00 0.00 +0.165 A ATOM 26 F LIG 1 7.396 3.195 -0.470 0.00 0.00 -0.202 F ATOM 27 C LIG 1 5.608 1.672 -0.417 0.00 0.00 +0.049 A ATOM 28 C LIG 1 5.085 0.426 -0.058 0.00 0.00 -0.007 A ATOM 29 C LIG 1 5.916 -0.480 0.618 0.00 0.00 +0.011 A ATOM 30 C LIG 1 7.244 -0.155 0.925 0.00 0.00 +0.049 A BRANCH 24 31 ATOM 31 O LIG 1 9.035 1.532 0.804 0.00 0.00 -0.478 OA BRANCH 31 32 ATOM 32 C LIG 1 9.933 0.674 1.488 0.00 0.00 +0.349 C BRANCH 32 34 ATOM 33 O LIG 1 9.679 -0.503 3.614 0.00 0.00 -0.247 OA ATOM 34 C LIG 1 9.698 0.543 2.983 0.00 0.00 +0.343 C BRANCH 34 35 ATOM 35 O LIG 1 9.531 1.724 3.611 0.00 0.00 -0.478 OA ATOM 36 H LIG 1 9.381 1.489 4.550 0.00 0.00 +0.295 HD ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 24 31 ENDBRANCH 23 28 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 11