REMARK Name = BDB007947 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.170 1.387 -1.639 0.00 0.00 -0.293 N ATOM 2 C LIG 1 -0.870 1.565 -1.098 0.00 0.00 +0.230 C ATOM 3 O LIG 1 -0.299 2.653 -1.169 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 4 ATOM 4 C LIG 1 -2.804 2.590 -2.209 0.00 0.00 +0.114 C BRANCH 4 6 ATOM 5 C LIG 1 -4.660 2.707 -0.461 0.00 0.00 +0.012 C ATOM 6 C LIG 1 -3.575 3.498 -1.204 0.00 0.00 -0.022 C ATOM 7 C LIG 1 -2.653 4.162 -0.169 0.00 0.00 +0.012 C ATOM 8 C LIG 1 -4.261 4.618 -2.014 0.00 0.00 +0.012 C ENDBRANCH 4 6 ENDBRANCH 1 4 BRANCH 2 9 ATOM 9 C LIG 1 -0.242 0.329 -0.414 0.00 0.00 +0.180 C BRANCH 9 10 ATOM 10 N LIG 1 0.985 0.619 0.369 0.00 0.00 -0.294 NA ATOM 11 C LIG 1 1.337 -0.523 1.230 0.00 0.00 +0.085 C ATOM 12 C LIG 1 2.385 -1.443 0.607 0.00 0.00 +0.027 C ATOM 13 C LIG 1 3.711 -0.693 0.379 0.00 0.00 +0.063 C ATOM 14 C LIG 1 3.468 0.802 0.128 0.00 0.00 +0.027 C ATOM 15 C LIG 1 2.094 1.059 -0.492 0.00 0.00 +0.085 C BRANCH 13 16 ATOM 16 C LIG 1 4.649 -0.867 1.575 0.00 0.00 +0.166 C ATOM 17 O LIG 1 4.227 -1.197 2.683 0.00 0.00 -0.292 OA BRANCH 16 18 ATOM 18 C LIG 1 6.118 -0.611 1.419 0.00 0.00 +0.018 A ATOM 19 C LIG 1 6.723 -0.356 0.180 0.00 0.00 +0.014 A ATOM 20 C LIG 1 8.102 -0.131 0.104 0.00 0.00 +0.039 A ATOM 21 C LIG 1 8.873 -0.161 1.260 0.00 0.00 +0.123 A ATOM 22 F LIG 1 10.191 0.055 1.179 0.00 0.00 -0.205 F ATOM 23 C LIG 1 8.293 -0.412 2.496 0.00 0.00 +0.039 A ATOM 24 C LIG 1 6.917 -0.638 2.576 0.00 0.00 +0.014 A ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 1 25 ATOM 25 C LIG 1 -2.502 0.098 -2.270 0.00 0.00 +0.182 C BRANCH 25 26 ATOM 26 C LIG 1 -2.976 -0.973 -1.292 0.00 0.00 +0.127 A ATOM 27 N LIG 1 -4.199 -0.773 -0.719 0.00 0.00 -0.309 N ATOM 28 H LIG 1 -4.749 0.044 -0.929 0.00 0.00 +0.170 HD ATOM 29 C LIG 1 -4.744 -1.651 0.172 0.00 0.00 +0.257 A ATOM 30 O LIG 1 -5.843 -1.468 0.680 0.00 0.00 -0.267 OA ATOM 31 C LIG 1 -3.914 -2.829 0.473 0.00 0.00 +0.064 A ATOM 32 C LIG 1 -4.439 -3.839 1.438 0.00 0.00 +0.202 C ATOM 33 O LIG 1 -3.679 -5.059 1.408 0.00 0.00 -0.375 OA ATOM 34 C LIG 1 -2.272 -4.809 1.443 0.00 0.00 +0.166 C ATOM 35 C LIG 1 -1.835 -4.104 0.160 0.00 0.00 +0.084 C ATOM 36 C LIG 1 -2.728 -2.929 -0.147 0.00 0.00 +0.056 A ATOM 37 N LIG 1 -2.239 -2.010 -1.045 0.00 0.00 -0.237 NA ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 8