REMARK Name = BDB007948 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.055 -1.549 -0.019 0.00 0.00 +0.230 C ATOM 2 N LIG 1 -0.873 -1.388 -1.044 0.00 0.00 -0.289 N ATOM 3 O LIG 1 0.506 -2.661 0.278 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 4 ATOM 4 C LIG 1 0.547 -0.313 0.751 0.00 0.00 +0.180 C BRANCH 4 8 ATOM 5 C LIG 1 4.079 1.891 0.210 0.00 0.00 +0.063 C ATOM 6 C LIG 1 2.755 2.633 -0.046 0.00 0.00 +0.027 C ATOM 7 C LIG 1 1.580 1.863 0.550 0.00 0.00 +0.085 C ATOM 8 N LIG 1 1.397 0.556 -0.094 0.00 0.00 -0.294 NA ATOM 9 C LIG 1 2.657 -0.085 -0.500 0.00 0.00 +0.085 C ATOM 10 C LIG 1 3.870 0.372 0.311 0.00 0.00 +0.027 C BRANCH 5 12 ATOM 11 O LIG 1 4.778 2.380 -2.051 0.00 0.00 -0.292 OA ATOM 12 C LIG 1 5.106 2.204 -0.878 0.00 0.00 +0.166 C BRANCH 12 13 ATOM 13 C LIG 1 6.559 2.282 -0.525 0.00 0.00 +0.018 A ATOM 14 C LIG 1 7.434 2.862 -1.459 0.00 0.00 +0.014 A ATOM 15 C LIG 1 8.800 2.960 -1.185 0.00 0.00 +0.039 A ATOM 16 C LIG 1 9.291 2.475 0.019 0.00 0.00 +0.123 A ATOM 17 F LIG 1 10.601 2.567 0.284 0.00 0.00 -0.205 F ATOM 18 C LIG 1 8.443 1.891 0.953 0.00 0.00 +0.039 A ATOM 19 C LIG 1 7.074 1.791 0.682 0.00 0.00 +0.014 A ENDBRANCH 12 13 ENDBRANCH 5 12 ENDBRANCH 4 8 ENDBRANCH 1 4 BRANCH 2 20 ATOM 20 C LIG 1 -1.548 -0.118 -1.341 0.00 0.00 +0.182 C BRANCH 20 21 ATOM 21 C LIG 1 -2.873 -0.006 -0.591 0.00 0.00 +0.127 A ATOM 22 N LIG 1 -4.007 -0.096 -1.353 0.00 0.00 -0.309 N ATOM 23 H LIG 1 -3.967 -0.253 -2.349 0.00 0.00 +0.170 HD ATOM 24 C LIG 1 -5.258 -0.065 -0.813 0.00 0.00 +0.257 A ATOM 25 O LIG 1 -6.268 -0.145 -1.501 0.00 0.00 -0.267 OA ATOM 26 C LIG 1 -5.302 0.090 0.649 0.00 0.00 +0.064 A ATOM 27 C LIG 1 -6.635 0.099 1.320 0.00 0.00 +0.202 C ATOM 28 O LIG 1 -6.526 -0.038 2.747 0.00 0.00 -0.375 OA ATOM 29 C LIG 1 -5.517 0.815 3.290 0.00 0.00 +0.166 C ATOM 30 C LIG 1 -4.139 0.377 2.794 0.00 0.00 +0.084 C ATOM 31 C LIG 1 -4.132 0.199 1.298 0.00 0.00 +0.056 A ATOM 32 N LIG 1 -2.898 0.160 0.695 0.00 0.00 -0.237 NA ENDBRANCH 20 21 ENDBRANCH 2 20 BRANCH 2 33 ATOM 33 C LIG 1 -1.270 -2.571 -1.809 0.00 0.00 +0.143 C BRANCH 33 34 ATOM 34 C LIG 1 -2.644 -3.097 -1.459 0.00 0.00 -0.030 A ATOM 35 C LIG 1 -2.968 -3.429 -0.132 0.00 0.00 +0.008 A ATOM 36 C LIG 1 -4.242 -3.900 0.190 0.00 0.00 +0.038 A ATOM 37 C LIG 1 -5.188 -4.056 -0.813 0.00 0.00 +0.123 A ATOM 38 F LIG 1 -6.410 -4.509 -0.504 0.00 0.00 -0.205 F ATOM 39 C LIG 1 -4.883 -3.756 -2.136 0.00 0.00 +0.038 A ATOM 40 C LIG 1 -3.610 -3.284 -2.461 0.00 0.00 +0.008 A ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 8