REMARK Name = BDB040197 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.281 1.879 -0.041 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.280 0.637 0.277 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.156 -0.495 0.176 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.623 0.898 0.808 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.569 -0.010 1.246 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.797 0.489 1.702 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -4.033 1.885 1.687 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -3.057 2.797 1.240 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.845 2.270 0.801 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.636 2.968 0.267 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.700 1.248 -1.544 0.00 0.00 -0.033 A ATOM 12 C LIG 1 2.427 1.056 -0.953 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.564 2.111 -0.612 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.009 3.416 -0.859 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.265 3.651 -1.418 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.094 2.582 -1.751 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 4.677 -0.023 -1.949 0.00 0.00 +0.066 C ATOM 18 C LIG 1 3.929 -1.258 -2.593 0.00 0.00 +0.018 C ATOM 19 C LIG 1 4.186 -0.629 -3.974 0.00 0.00 +0.002 C ATOM 20 C LIG 1 5.379 0.122 -3.359 0.00 0.00 +0.018 C BRANCH 17 21 ATOM 21 C LIG 1 5.604 -0.325 -0.756 0.00 0.00 +0.316 C ATOM 22 F LIG 1 4.815 -0.536 0.343 0.00 0.00 -0.196 F ATOM 23 F LIG 1 6.297 0.823 -0.473 0.00 0.00 -0.196 F BRANCH 21 26 ATOM 24 C LIG 1 7.464 -1.220 1.501 0.00 0.00 +0.152 C ATOM 25 N LIG 1 7.404 -1.810 0.190 0.00 0.00 -0.316 N ATOM 26 C LIG 1 6.586 -1.446 -0.852 0.00 0.00 +0.203 A ATOM 27 N LIG 1 6.854 -2.239 -1.875 0.00 0.00 -0.128 NA ATOM 28 N LIG 1 7.846 -3.111 -1.504 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 8.164 -2.843 -0.260 0.00 0.00 +0.225 A ENDBRANCH 21 26 ENDBRANCH 17 21 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 -3.307 4.280 1.220 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -3.244 4.794 -0.038 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -2.379 4.966 1.943 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -4.518 4.646 1.720 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 -4.883 -0.462 2.157 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 -5.827 -0.704 1.065 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 -5.290 -0.919 0.224 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 -6.818 -1.738 1.407 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -6.159 -3.147 1.355 0.00 0.00 +0.022 C ATOM 39 C LIG 1 -7.350 -3.607 0.490 0.00 0.00 +0.004 C ATOM 40 C LIG 1 -7.548 -2.130 0.086 0.00 0.00 +0.022 C ATOM 41 C LIG 1 -7.730 -1.392 2.569 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 8