REMARK Name = BDB038547 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.468 -0.984 -0.817 0.00 0.00 -0.015 A ATOM 2 C LIG 1 -1.109 -0.774 -0.504 0.00 0.00 +0.032 A ATOM 3 C LIG 1 -0.159 -0.408 -1.472 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -0.593 -0.305 -2.796 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -1.928 -0.538 -3.139 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -2.858 -0.869 -2.157 0.00 0.00 +0.008 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 1.186 -0.138 -1.095 0.00 0.00 -0.263 N ATOM 8 C LIG 1 2.232 0.227 -1.947 0.00 0.00 +0.251 C ATOM 9 O LIG 1 2.270 0.378 -3.154 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 3.418 0.429 -1.106 0.00 0.00 +0.043 A ATOM 11 C LIG 1 4.694 0.797 -1.495 0.00 0.00 +0.019 A ATOM 12 C LIG 1 5.667 0.938 -0.498 0.00 0.00 -0.021 A ATOM 13 C LIG 1 5.321 0.697 0.853 0.00 0.00 +0.018 A ATOM 14 C LIG 1 4.018 0.317 1.232 0.00 0.00 +0.061 A ATOM 15 C LIG 1 3.071 0.194 0.219 0.00 0.00 -0.006 A ATOM 16 C LIG 1 1.624 -0.175 0.298 0.00 0.00 +0.150 C BRANCH 14 17 ATOM 17 C LIG 1 3.660 0.087 2.678 0.00 0.00 +0.418 C ATOM 18 F LIG 1 2.989 1.140 3.214 0.00 0.00 -0.166 F ATOM 19 F LIG 1 2.860 -1.001 2.850 0.00 0.00 -0.166 F ATOM 20 F LIG 1 4.743 -0.119 3.476 0.00 0.00 -0.166 F ENDBRANCH 14 17 BRANCH 12 21 ATOM 21 C LIG 1 7.077 1.335 -0.852 0.00 0.00 +0.191 C BRANCH 21 22 ATOM 22 O LIG 1 7.972 0.273 -0.555 0.00 0.00 -0.390 OA ATOM 23 H LIG 1 7.514 -0.560 -0.758 0.00 0.00 +0.210 HD ENDBRANCH 21 22 ENDBRANCH 12 21 ENDBRANCH 3 7 BRANCH 1 25 ATOM 24 C LIG 1 -3.616 -0.504 1.403 0.00 0.00 +0.027 A ATOM 25 C LIG 1 -3.453 -1.300 0.241 0.00 0.00 -0.006 A ATOM 26 C LIG 1 -4.254 -2.454 0.109 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -5.180 -2.819 1.095 0.00 0.00 +0.052 A ATOM 28 C LIG 1 -5.317 -2.034 2.240 0.00 0.00 +0.019 A ATOM 29 C LIG 1 -4.535 -0.888 2.394 0.00 0.00 +0.013 A BRANCH 24 32 ATOM 30 C LIG 1 -3.822 2.229 -0.123 0.00 0.00 +0.152 C ATOM 31 N LIG 1 -2.920 1.887 0.944 0.00 0.00 -0.317 N ATOM 32 C LIG 1 -2.834 0.708 1.642 0.00 0.00 +0.164 A ATOM 33 N LIG 1 -1.897 0.846 2.564 0.00 0.00 -0.129 NA ATOM 34 N LIG 1 -1.346 2.099 2.442 0.00 0.00 -0.138 NA ATOM 35 C LIG 1 -1.973 2.713 1.468 0.00 0.00 +0.225 A ENDBRANCH 24 32 BRANCH 27 36 ATOM 36 C LIG 1 -5.978 -3.998 0.930 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -6.629 -4.949 0.790 0.00 0.00 -0.191 NA ENDBRANCH 27 36 ENDBRANCH 1 25 TORSDOF 7