REMARK Name = BDB017974 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.089 1.568 -2.327 0.00 0.00 +0.169 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -2.367 2.061 -1.917 0.00 0.00 -0.377 OA BRANCH 2 3 ATOM 3 C LIG 1 -3.204 2.422 -3.023 0.00 0.00 +0.181 C BRANCH 3 5 ATOM 4 C LIG 1 -4.742 1.618 -4.851 0.00 0.00 +0.030 C ATOM 5 C LIG 1 -3.983 1.210 -3.589 0.00 0.00 +0.093 C BRANCH 5 6 ATOM 6 N LIG 1 -4.961 0.702 -2.608 0.00 0.00 -0.337 N ATOM 7 H LIG 1 -5.713 1.381 -2.449 0.00 0.00 +0.146 HD BRANCH 6 8 ATOM 8 C LIG 1 -4.644 -0.007 -1.449 0.00 0.00 +0.064 A ATOM 9 C LIG 1 -5.261 0.082 -0.257 0.00 0.00 +0.142 A ATOM 10 C LIG 1 -4.817 -0.730 0.892 0.00 0.00 +0.278 A ATOM 11 O LIG 1 -5.375 -0.684 1.984 0.00 0.00 -0.266 OA ATOM 12 N LIG 1 -3.736 -1.546 0.685 0.00 0.00 -0.243 N ATOM 13 H LIG 1 -3.432 -2.127 1.460 0.00 0.00 +0.192 HD ATOM 14 N LIG 1 -3.099 -1.725 -0.502 0.00 0.00 -0.178 NA ATOM 15 C LIG 1 -3.538 -1.013 -1.489 0.00 0.00 +0.156 A BRANCH 9 16 ATOM 16 C LIG 1 -6.395 0.970 0.072 0.00 0.00 +0.424 C ATOM 17 F LIG 1 -6.126 1.831 1.089 0.00 0.00 -0.166 F ATOM 18 F LIG 1 -6.748 1.763 -0.986 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -7.524 0.288 0.401 0.00 0.00 -0.166 F ENDBRANCH 9 16 ENDBRANCH 6 8 ENDBRANCH 5 6 ENDBRANCH 3 5 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C LIG 1 -0.332 1.109 -1.089 0.00 0.00 +0.124 C BRANCH 20 21 ATOM 21 C LIG 1 1.017 0.523 -1.457 0.00 0.00 +0.218 C ATOM 22 N LIG 1 1.830 0.126 -0.407 0.00 0.00 -0.298 N ATOM 23 C LIG 1 1.453 0.200 1.011 0.00 0.00 +0.126 C ATOM 24 C LIG 1 2.323 -0.683 1.923 0.00 0.00 +0.127 C ATOM 25 N LIG 1 3.742 -0.395 1.725 0.00 0.00 -0.297 N ATOM 26 C LIG 1 4.207 -0.039 0.382 0.00 0.00 +0.127 C ATOM 27 C LIG 1 3.169 -0.402 -0.696 0.00 0.00 +0.126 C ATOM 28 O LIG 1 1.365 0.413 -2.634 0.00 0.00 -0.276 OA BRANCH 25 29 ATOM 29 C LIG 1 4.644 -0.928 2.619 0.00 0.00 +0.218 A ATOM 30 N LIG 1 4.181 -1.567 3.707 0.00 0.00 -0.222 NA ATOM 31 C LIG 1 5.079 -2.061 4.584 0.00 0.00 +0.128 A ATOM 32 C LIG 1 6.436 -1.954 4.422 0.00 0.00 +0.091 A ATOM 33 C LIG 1 6.823 -1.283 3.291 0.00 0.00 +0.128 A ATOM 34 N LIG 1 5.958 -0.774 2.390 0.00 0.00 -0.222 NA BRANCH 32 35 ATOM 35 C LIG 1 7.406 -2.477 5.412 0.00 0.00 +0.420 C ATOM 36 F LIG 1 8.633 -2.726 4.877 0.00 0.00 -0.166 F ATOM 37 F LIG 1 7.618 -1.610 6.440 0.00 0.00 -0.166 F ATOM 38 F LIG 1 7.007 -3.646 5.986 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 25 29 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 10