REMARK Name = BDB020075 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.010 -0.218 -1.311 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.705 0.986 -1.319 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.086 0.981 -1.096 0.00 0.00 -0.013 A ATOM 4 C LIG 1 -2.745 -0.236 -0.873 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -2.040 -1.451 -0.885 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -0.656 -1.429 -1.102 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.830 2.224 -1.093 0.00 0.00 +0.032 A ATOM 8 C LIG 1 -2.916 3.277 -2.054 0.00 0.00 +0.173 A ATOM 9 N LIG 1 -3.716 4.268 -1.604 0.00 0.00 -0.167 NA ATOM 10 N LIG 1 -4.133 3.844 -0.400 0.00 0.00 -0.273 N ATOM 11 C LIG 1 -5.014 4.679 0.382 0.00 0.00 +0.172 C ATOM 12 C LIG 1 -3.635 2.627 -0.048 0.00 0.00 +0.117 A BRANCH 8 13 ATOM 13 C LIG 1 -2.236 3.329 -3.396 0.00 0.00 +0.437 C ATOM 14 F LIG 1 -2.360 2.158 -4.077 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -2.721 4.300 -4.215 0.00 0.00 -0.164 F ATOM 16 F LIG 1 -0.898 3.561 -3.270 0.00 0.00 -0.164 F ENDBRANCH 8 13 ENDBRANCH 3 7 BRANCH 1 19 ATOM 17 N LIG 1 2.183 0.815 -1.017 0.00 0.00 -0.304 N ATOM 18 H LIG 1 1.729 1.389 -0.323 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 1.477 -0.246 -1.539 0.00 0.00 +0.245 C ATOM 20 O LIG 1 1.989 -1.186 -2.134 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 3.632 0.816 -1.005 0.00 0.00 +0.107 C BRANCH 21 27 ATOM 22 C LIG 1 4.641 -1.756 1.644 0.00 0.00 +0.155 A ATOM 23 C LIG 1 4.955 -0.928 2.724 0.00 0.00 +0.165 A ATOM 24 F LIG 1 5.363 -1.458 3.888 0.00 0.00 -0.202 F ATOM 25 C LIG 1 4.843 0.455 2.630 0.00 0.00 +0.042 A ATOM 26 C LIG 1 4.418 1.038 1.435 0.00 0.00 +0.008 A ATOM 27 C LIG 1 4.128 0.240 0.318 0.00 0.00 -0.023 A ATOM 28 C LIG 1 4.235 -1.164 0.445 0.00 0.00 +0.054 A BRANCH 22 30 ATOM 29 C LIG 1 4.202 -3.964 0.882 0.00 0.00 +0.277 C ATOM 30 O LIG 1 4.770 -3.101 1.861 0.00 0.00 -0.492 OA ENDBRANCH 22 30 ENDBRANCH 21 27 BRANCH 21 31 ATOM 31 C LIG 1 4.200 2.192 -1.281 0.00 0.00 +0.014 C ATOM 32 C LIG 1 3.506 3.493 -0.934 0.00 0.00 +0.006 C ATOM 33 C LIG 1 3.621 3.067 -2.371 0.00 0.00 +0.006 C ENDBRANCH 21 31 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 5 34 ATOM 34 C LIG 1 -2.749 -2.761 -0.637 0.00 0.00 +0.141 C BRANCH 34 35 ATOM 35 N LIG 1 -2.984 -2.945 0.778 0.00 0.00 -0.315 N ATOM 36 C LIG 1 -2.104 -3.561 1.627 0.00 0.00 +0.089 C ATOM 37 N LIG 1 -0.875 -3.858 1.391 0.00 0.00 -0.289 NA ATOM 38 H LIG 1 -0.459 -4.323 2.204 0.00 0.00 +0.188 HD ATOM 39 C LIG 1 -2.797 -3.912 2.925 0.00 0.00 +0.072 C ATOM 40 C LIG 1 -4.093 -3.106 2.808 0.00 0.00 +0.026 C ATOM 41 C LIG 1 -4.333 -2.968 1.302 0.00 0.00 +0.107 C ENDBRANCH 34 35 ENDBRANCH 5 34 TORSDOF 9