REMARK Name = BDB058955 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.412 0.001 -0.084 0.00 0.00 +0.111 A ATOM 2 C LIG 1 -1.742 1.315 -0.357 0.00 0.00 +0.180 A ATOM 3 O LIG 1 -3.037 1.374 -0.774 0.00 0.00 -0.353 OA ATOM 4 N LIG 1 -3.595 0.114 -0.751 0.00 0.00 -0.077 NA ATOM 5 C LIG 1 -2.627 -0.709 -0.329 0.00 0.00 +0.128 A ENDROOT BRANCH 5 6 ATOM 6 C LIG 1 -2.888 -2.138 -0.190 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -3.653 -2.619 0.896 0.00 0.00 +0.065 A ATOM 8 C LIG 1 -3.906 -4.002 0.994 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -3.400 -4.893 0.049 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -2.637 -4.417 -1.014 0.00 0.00 +0.021 A ATOM 11 C LIG 1 -2.381 -3.049 -1.136 0.00 0.00 +0.051 A ATOM 12 CL LIG 1 -1.434 -2.542 -2.497 0.00 0.00 -0.083 Cl BRANCH 7 13 ATOM 13 C LIG 1 -4.220 -1.692 1.946 0.00 0.00 +0.418 C ATOM 14 F LIG 1 -5.319 -1.015 1.517 0.00 0.00 -0.166 F ATOM 15 F LIG 1 -4.624 -2.356 3.070 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -3.335 -0.756 2.388 0.00 0.00 -0.166 F ENDBRANCH 7 13 ENDBRANCH 5 6 BRANCH 2 17 ATOM 17 C LIG 1 -1.068 2.602 -0.279 0.00 0.00 +0.021 A ATOM 18 C LIG 1 -0.309 2.946 0.849 0.00 0.00 +0.011 A ATOM 19 C LIG 1 0.374 4.163 0.899 0.00 0.00 +0.001 A ATOM 20 C LIG 1 0.297 5.051 -0.172 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -0.468 4.728 -1.291 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -1.149 3.510 -1.343 0.00 0.00 +0.011 A ENDBRANCH 2 17 BRANCH 1 25 ATOM 23 N LIG 1 0.972 0.122 -0.054 0.00 0.00 -0.281 N ATOM 24 H LIG 1 0.823 0.899 -0.687 0.00 0.00 +0.155 HD ATOM 25 C LIG 1 -0.153 -0.559 0.376 0.00 0.00 +0.254 C ATOM 26 O LIG 1 -0.146 -1.576 1.059 0.00 0.00 -0.270 OA BRANCH 23 29 ATOM 27 C LIG 1 4.644 0.502 -0.034 0.00 0.00 +0.061 A ATOM 28 C LIG 1 3.284 0.697 -0.304 0.00 0.00 +0.038 A ATOM 29 C LIG 1 2.320 -0.142 0.267 0.00 0.00 +0.034 A ATOM 30 C LIG 1 2.738 -1.167 1.120 0.00 0.00 +0.023 A ATOM 31 C LIG 1 4.096 -1.349 1.406 0.00 0.00 +0.003 A ATOM 32 C LIG 1 5.053 -0.513 0.835 0.00 0.00 +0.015 A BRANCH 27 34 ATOM 33 O LIG 1 5.411 2.613 -0.798 0.00 0.00 -0.245 OA ATOM 34 C LIG 1 5.620 1.422 -0.659 0.00 0.00 +0.337 C BRANCH 34 35 ATOM 35 O LIG 1 6.732 0.797 -1.098 0.00 0.00 -0.477 OA ATOM 36 H LIG 1 6.690 -0.177 -1.075 0.00 0.00 +0.295 HD ENDBRANCH 34 35 ENDBRANCH 27 34 ENDBRANCH 23 29 ENDBRANCH 1 25 TORSDOF 7