REMARK Name = BDB021547 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.340 0.331 -2.044 0.00 0.00 +0.129 C ATOM 2 N LIG 1 2.408 0.496 -0.932 0.00 0.00 -0.331 N ATOM 3 C LIG 1 2.829 0.223 0.364 0.00 0.00 +0.045 A ATOM 4 C LIG 1 2.015 -0.283 1.405 0.00 0.00 +0.058 A ATOM 5 C LIG 1 2.551 -0.546 2.688 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.888 -0.297 2.975 0.00 0.00 +0.046 A ATOM 7 C LIG 1 4.701 0.200 1.972 0.00 0.00 +0.123 A ATOM 8 C LIG 1 0.576 -0.639 1.281 0.00 0.00 +0.249 C ATOM 9 O LIG 1 0.189 -1.700 1.772 0.00 0.00 -0.270 OA ATOM 10 N LIG 1 -0.305 0.262 0.697 0.00 0.00 -0.293 N ATOM 11 C LIG 1 0.176 1.344 -0.155 0.00 0.00 +0.127 C ATOM 12 C LIG 1 4.180 0.471 0.704 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.022 0.803 -1.306 0.00 0.00 +0.123 C ENDROOT BRANCH 7 14 ATOM 14 O LIG 1 6.002 0.493 2.274 0.00 0.00 -0.486 OA BRANCH 14 15 ATOM 15 C LIG 1 6.908 -0.486 1.740 0.00 0.00 +0.284 C BRANCH 15 16 ATOM 16 C LIG 1 7.524 -0.048 0.427 0.00 0.00 +0.079 A ATOM 17 N LIG 1 8.111 1.177 0.382 0.00 0.00 -0.254 NA ATOM 18 C LIG 1 8.671 1.559 -0.790 0.00 0.00 +0.149 A ATOM 19 C LIG 1 8.688 0.767 -1.921 0.00 0.00 +0.141 A ATOM 20 F LIG 1 9.265 1.193 -3.050 0.00 0.00 -0.204 F ATOM 21 C LIG 1 8.100 -0.485 -1.868 0.00 0.00 +0.042 A ATOM 22 C LIG 1 7.507 -0.904 -0.678 0.00 0.00 +0.029 A ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 7 14 BRANCH 10 23 ATOM 23 C LIG 1 -1.722 -0.107 0.610 0.00 0.00 +0.140 C BRANCH 23 24 ATOM 24 C LIG 1 -2.037 -0.988 -0.605 0.00 0.00 +0.146 C BRANCH 24 25 ATOM 25 O LIG 1 -2.132 -0.159 -1.780 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 -3.083 0.076 -1.833 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -3.353 -1.790 -0.472 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 -4.548 -0.940 -0.691 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 -5.093 -0.441 0.592 0.00 0.00 +0.120 C ATOM 30 C LIG 1 -6.378 0.342 0.432 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -7.200 0.153 -0.691 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -8.396 0.876 -0.810 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -8.789 1.760 0.194 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.990 1.931 1.321 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.763 -0.776 -1.794 0.00 0.00 +0.051 C ATOM 36 C LIG 1 -6.792 1.223 1.443 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -5.613 -1.702 -1.374 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 10 23 TORSDOF 8