REMARK Name = BDB007757 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.319 -2.042 -0.156 0.00 0.00 -0.269 OA ATOM 2 C LIG 1 -0.362 -0.824 -0.025 0.00 0.00 +0.263 C ATOM 3 N LIG 1 -1.504 -0.073 -0.214 0.00 0.00 -0.308 N ATOM 4 H LIG 1 -1.439 0.922 -0.017 0.00 0.00 +0.149 HD ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 0.844 -0.033 0.374 0.00 0.00 +0.132 A ATOM 6 N LIG 1 0.717 1.317 0.320 0.00 0.00 -0.231 NA ATOM 7 C LIG 1 1.811 2.000 0.675 0.00 0.00 +0.225 A ATOM 8 N LIG 1 2.968 1.470 1.093 0.00 0.00 -0.201 NA ATOM 9 C LIG 1 3.020 0.127 1.140 0.00 0.00 +0.219 A ATOM 10 C LIG 1 1.983 -0.691 0.774 0.00 0.00 +0.100 A BRANCH 9 11 ATOM 11 O LIG 1 4.163 -0.509 1.581 0.00 0.00 -0.473 OA BRANCH 11 12 ATOM 12 C LIG 1 5.223 0.353 2.027 0.00 0.00 +0.178 C ATOM 13 C LIG 1 6.103 0.738 0.830 0.00 0.00 +0.060 C ATOM 14 C LIG 1 7.557 0.917 1.250 0.00 0.00 +0.088 C ATOM 15 N LIG 1 8.138 -0.328 1.776 0.00 0.00 -0.294 NA ATOM 16 C LIG 1 7.173 -1.186 2.478 0.00 0.00 +0.088 C ATOM 17 C LIG 1 6.016 -0.410 3.098 0.00 0.00 +0.060 C BRANCH 15 18 ATOM 18 C LIG 1 9.357 -0.073 2.591 0.00 0.00 +0.198 C BRANCH 18 19 ATOM 19 C LIG 1 10.527 0.700 1.946 0.00 0.00 +0.402 C ATOM 20 F LIG 1 10.955 0.117 0.805 0.00 0.00 -0.169 F ATOM 21 F LIG 1 11.581 0.742 2.799 0.00 0.00 -0.169 F ATOM 22 F LIG 1 10.192 1.980 1.664 0.00 0.00 -0.169 F ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 11 12 ENDBRANCH 9 11 ENDBRANCH 2 5 BRANCH 3 23 ATOM 23 C LIG 1 -2.801 -0.679 -0.470 0.00 0.00 +0.137 C BRANCH 23 24 ATOM 24 C LIG 1 -2.954 -1.096 -1.941 0.00 0.00 +0.145 C BRANCH 24 25 ATOM 25 O LIG 1 -2.847 0.055 -2.795 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 -2.014 0.489 -2.533 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -4.274 -1.857 -2.210 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 -5.508 -1.247 -1.660 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 -5.827 0.025 -2.347 0.00 0.00 +0.120 C ATOM 30 C LIG 1 -7.194 0.587 -2.004 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -8.192 -0.223 -1.434 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -9.454 0.321 -1.148 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -9.732 1.653 -1.447 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -8.752 2.455 -2.028 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.878 -1.649 -1.071 0.00 0.00 +0.051 C ATOM 36 C LIG 1 -7.492 1.925 -2.311 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -6.638 -2.180 -1.802 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 10