REMARK Name = BDB019837 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.994 -1.344 -0.105 0.00 0.00 -0.026 A ATOM 2 C LIG 1 2.401 -0.023 -0.352 0.00 0.00 +0.016 A ATOM 3 C LIG 1 1.474 1.030 -0.379 0.00 0.00 +0.019 A ATOM 4 C LIG 1 0.120 0.741 -0.144 0.00 0.00 +0.143 A ATOM 5 F LIG 1 -0.762 1.755 -0.166 0.00 0.00 -0.204 F ATOM 6 C LIG 1 -0.313 -0.564 0.104 0.00 0.00 +0.073 A ATOM 7 C LIG 1 0.634 -1.601 0.122 0.00 0.00 +0.021 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 1.924 2.406 -0.630 0.00 0.00 -0.003 A ATOM 9 C LIG 1 1.946 2.971 -1.928 0.00 0.00 +0.065 A ATOM 10 C LIG 1 2.390 4.297 -2.093 0.00 0.00 +0.051 A ATOM 11 C LIG 1 2.803 5.042 -0.995 0.00 0.00 +0.124 A ATOM 12 F LIG 1 3.221 6.302 -1.174 0.00 0.00 -0.205 F ATOM 13 C LIG 1 2.790 4.500 0.280 0.00 0.00 +0.039 A ATOM 14 C LIG 1 2.353 3.188 0.462 0.00 0.00 +0.012 A BRANCH 9 15 ATOM 15 C LIG 1 1.514 2.181 -3.142 0.00 0.00 +0.418 C ATOM 16 F LIG 1 2.272 1.067 -3.342 0.00 0.00 -0.166 F ATOM 17 F LIG 1 0.224 1.753 -3.064 0.00 0.00 -0.166 F ATOM 18 F LIG 1 1.593 2.889 -4.305 0.00 0.00 -0.166 F ENDBRANCH 9 15 ENDBRANCH 3 8 BRANCH 6 19 ATOM 19 C LIG 1 -1.740 -0.913 0.356 0.00 0.00 +0.248 C ATOM 20 N LIG 1 -2.673 0.098 0.257 0.00 0.00 -0.302 N ATOM 21 H LIG 1 -2.351 1.015 -0.035 0.00 0.00 +0.150 HD ATOM 22 O LIG 1 -2.034 -2.071 0.639 0.00 0.00 -0.270 OA BRANCH 20 23 ATOM 23 C LIG 1 -4.142 -0.131 0.376 0.00 0.00 +0.060 C ATOM 24 C LIG 1 -4.548 -0.814 1.737 0.00 0.00 +0.030 C ATOM 25 C LIG 1 -5.698 0.203 1.842 0.00 0.00 +0.005 C ATOM 26 C LIG 1 -4.850 1.147 0.975 0.00 0.00 +0.030 C BRANCH 23 27 ATOM 27 C LIG 1 -4.762 -0.732 -0.987 0.00 0.00 -0.023 A ATOM 28 C LIG 1 -5.198 0.095 -2.044 0.00 0.00 +0.021 A ATOM 29 C LIG 1 -5.722 -0.434 -3.227 0.00 0.00 +0.018 A ATOM 30 BR LIG 1 -6.296 0.733 -4.600 0.00 0.00 -0.050 Br ATOM 31 C LIG 1 -5.822 -1.809 -3.404 0.00 0.00 +0.015 A ATOM 32 C LIG 1 -5.384 -2.656 -2.392 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -4.860 -2.122 -1.211 0.00 0.00 +0.006 A ENDBRANCH 23 27 ENDBRANCH 20 23 ENDBRANCH 6 19 BRANCH 1 34 ATOM 34 C LIG 1 3.006 -2.471 -0.067 0.00 0.00 +0.159 C BRANCH 34 40 ATOM 35 C LIG 1 6.755 -1.252 2.936 0.00 0.00 +0.152 C ATOM 36 N LIG 1 5.524 -1.818 2.446 0.00 0.00 -0.320 N ATOM 37 C LIG 1 5.148 -1.782 1.101 0.00 0.00 +0.204 A ATOM 38 N LIG 1 5.851 -1.309 0.136 0.00 0.00 -0.268 NA ATOM 39 H LIG 1 5.355 -1.420 -0.746 0.00 0.00 +0.190 HD ATOM 40 N LIG 1 3.870 -2.357 1.088 0.00 0.00 -0.313 N ATOM 41 C LIG 1 3.501 -2.691 2.390 0.00 0.00 +0.107 A ATOM 42 C LIG 1 4.505 -2.359 3.212 0.00 0.00 +0.106 A ENDBRANCH 34 40 ENDBRANCH 1 34 TORSDOF 7