REMARK Name = BDB035487 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.767 0.535 1.448 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.113 -0.162 0.426 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.523 -0.599 -0.633 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.285 -0.326 0.846 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.325 -0.939 0.172 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.582 -0.973 0.792 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.751 -0.372 2.063 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.680 0.250 2.735 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.443 0.258 2.097 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.140 0.833 2.549 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.352 1.035 0.409 0.00 0.00 -0.021 A ATOM 12 C LIG 1 -2.993 0.662 0.391 0.00 0.00 +0.029 A ATOM 13 C LIG 1 -2.136 0.922 1.470 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.675 1.584 2.583 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.020 1.963 2.619 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.855 1.690 1.540 0.00 0.00 +0.006 A BRANCH 11 17 ATOM 17 C LIG 1 -5.232 0.728 -0.799 0.00 0.00 +0.146 C BRANCH 17 20 ATOM 18 C LIG 1 -5.289 -2.383 -0.398 0.00 0.00 +0.067 C ATOM 19 C LIG 1 -6.433 -1.462 -0.231 0.00 0.00 +0.057 A ATOM 20 N LIG 1 -6.377 -0.099 -0.399 0.00 0.00 -0.241 N ATOM 21 N LIG 1 -7.585 0.462 -0.173 0.00 0.00 -0.065 NA ATOM 22 N LIG 1 -8.429 -0.507 0.146 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -7.746 -1.688 0.118 0.00 0.00 +0.159 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -5.630 2.030 -1.492 0.00 0.00 +0.069 C ATOM 25 C LIG 1 -4.521 2.706 -2.311 0.00 0.00 +0.168 C ATOM 26 O LIG 1 -5.085 2.209 -3.548 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 -6.307 1.850 -2.860 0.00 0.00 +0.168 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 2.857 0.888 4.087 0.00 0.00 +0.418 C ATOM 29 F LIG 1 2.565 2.217 4.070 0.00 0.00 -0.166 F ATOM 30 F LIG 1 2.036 0.341 5.025 0.00 0.00 -0.166 F ATOM 31 F LIG 1 4.119 0.784 4.583 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 4.757 -1.613 0.084 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 5.301 -0.699 -0.920 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 5.436 0.215 -0.489 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 6.503 -1.240 -1.576 0.00 0.00 +0.017 C ATOM 36 C LIG 1 7.147 -0.076 -2.389 0.00 0.00 +0.022 C ATOM 37 C LIG 1 8.506 -0.497 -1.790 0.00 0.00 +0.004 C ATOM 38 C LIG 1 7.726 -1.135 -0.622 0.00 0.00 +0.022 C ATOM 39 C LIG 1 6.285 -2.523 -2.358 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8