REMARK Name = BDB019565 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.637 -0.810 -0.119 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.718 -1.677 0.076 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -3.028 -1.264 -0.200 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -3.239 0.050 -0.653 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.171 0.949 -0.826 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.866 0.495 -0.574 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -4.158 -2.177 0.008 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -4.828 -2.828 -1.044 0.00 0.00 +0.049 A ATOM 9 C LIG 1 -4.406 -2.649 -2.477 0.00 0.00 +0.066 C ATOM 10 N LIG 1 -5.884 -3.659 -0.848 0.00 0.00 -0.224 NA ATOM 11 C LIG 1 -6.282 -3.869 0.422 0.00 0.00 +0.213 A ATOM 12 F LIG 1 -7.323 -4.690 0.618 0.00 0.00 -0.184 F ATOM 13 C LIG 1 -5.687 -3.287 1.523 0.00 0.00 +0.060 A ATOM 14 C LIG 1 -4.612 -2.431 1.311 0.00 0.00 +0.014 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 1.772 -0.714 -0.451 0.00 0.00 -0.303 N ATOM 16 H LIG 1 1.604 -0.100 -1.232 0.00 0.00 +0.150 HD ATOM 17 C LIG 1 0.728 -1.290 0.233 0.00 0.00 +0.245 C ATOM 18 O LIG 1 0.864 -2.157 1.085 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 3.161 -1.010 -0.122 0.00 0.00 +0.125 C BRANCH 19 23 ATOM 20 C LIG 1 3.167 3.151 2.785 0.00 0.00 +0.044 C ATOM 21 C LIG 1 3.723 1.807 2.421 0.00 0.00 -0.047 A ATOM 22 C LIG 1 3.174 1.072 1.366 0.00 0.00 +0.028 A ATOM 23 C LIG 1 3.715 -0.174 1.032 0.00 0.00 +0.062 A ATOM 24 N LIG 1 4.794 -0.681 1.687 0.00 0.00 -0.258 NA ATOM 25 C LIG 1 5.316 0.050 2.695 0.00 0.00 +0.111 A ATOM 26 C LIG 1 4.828 1.284 3.091 0.00 0.00 +0.023 A ENDBRANCH 19 23 BRANCH 19 27 ATOM 27 C LIG 1 3.990 -0.763 -1.364 0.00 0.00 +0.015 C ATOM 28 C LIG 1 3.907 -1.714 -2.536 0.00 0.00 +0.006 C ATOM 29 C LIG 1 5.156 -1.661 -1.702 0.00 0.00 +0.006 C ENDBRANCH 19 27 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 30 ATOM 30 C LIG 1 -2.454 2.354 -1.313 0.00 0.00 +0.157 C BRANCH 30 31 ATOM 31 N LIG 1 -1.595 3.356 -0.698 0.00 0.00 -0.332 N ATOM 32 C LIG 1 -1.569 3.691 0.626 0.00 0.00 +0.199 A ATOM 33 N LIG 1 -0.671 4.620 0.868 0.00 0.00 -0.244 NA ATOM 34 C LIG 1 -0.121 4.919 -0.352 0.00 0.00 +0.130 A ATOM 35 C LIG 1 -0.680 4.144 -1.342 0.00 0.00 +0.107 A ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 7