REMARK Name = BDB025852 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.526 -0.631 0.283 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.774 0.399 -0.327 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.621 0.416 -0.217 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.309 -0.581 0.503 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.538 -1.592 1.098 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.132 -2.566 1.806 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.852 -1.625 0.995 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -4.876 -3.908 -0.396 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.435 -2.643 0.351 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.539 -1.873 0.984 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -6.800 -1.866 0.247 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.129 -0.480 1.292 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.605 -0.295 1.442 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.938 -0.605 0.151 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.502 -1.787 -0.555 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.779 -0.553 0.618 0.00 0.00 +0.003 A ATOM 17 C LIG 1 3.562 -1.694 0.471 0.00 0.00 +0.121 A ATOM 18 N LIG 1 4.918 -1.732 0.554 0.00 0.00 -0.240 NA ATOM 19 C LIG 1 5.583 -0.588 0.815 0.00 0.00 +0.121 A ATOM 20 C LIG 1 4.881 0.607 0.960 0.00 0.00 +0.044 A ATOM 21 C LIG 1 3.486 0.624 0.867 0.00 0.00 +0.013 A BRANCH 19 22 ATOM 22 N LIG 1 6.972 -0.615 0.887 0.00 0.00 -0.311 N ATOM 23 C LIG 1 7.639 0.157 1.950 0.00 0.00 +0.134 C ATOM 24 C LIG 1 8.597 -0.735 2.759 0.00 0.00 +0.178 C ATOM 25 O LIG 1 9.602 -1.373 1.960 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 9.130 -1.759 0.658 0.00 0.00 +0.178 C ATOM 27 C LIG 1 7.603 -1.905 0.564 0.00 0.00 +0.134 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 -1.526 1.358 -1.039 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.523 1.149 -1.008 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.070 2.447 -1.737 0.00 0.00 +0.250 C ATOM 31 O LIG 1 0.090 2.812 -1.878 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.166 3.194 -2.418 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -3.204 3.946 -1.721 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -4.134 4.605 -2.441 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -4.112 4.568 -3.924 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -4.964 5.148 -4.585 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -3.087 3.849 -4.486 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -3.058 3.840 -5.500 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -2.130 3.184 -3.760 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -3.188 3.991 -0.226 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -3.538 2.792 0.304 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -1.975 4.319 0.278 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -4.071 4.896 0.273 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 6