REMARK Name = BDB007979 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.501 -0.404 -0.943 0.00 0.00 +0.180 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 3.746 -0.295 -0.942 0.00 0.00 +0.063 C ATOM 3 C LIG 1 3.007 0.720 -1.815 0.00 0.00 +0.027 C ATOM 4 C LIG 1 1.529 0.839 -1.423 0.00 0.00 +0.085 C ATOM 5 N LIG 1 0.972 -0.390 -0.843 0.00 0.00 -0.294 NA ATOM 6 C LIG 1 1.586 -1.582 -1.435 0.00 0.00 +0.085 C ATOM 7 C LIG 1 3.050 -1.670 -0.993 0.00 0.00 +0.027 C BRANCH 2 9 ATOM 8 O LIG 1 5.506 -1.035 -2.413 0.00 0.00 -0.292 OA ATOM 9 C LIG 1 5.193 -0.397 -1.408 0.00 0.00 +0.166 C BRANCH 9 10 ATOM 10 C LIG 1 6.268 0.315 -0.651 0.00 0.00 +0.018 A ATOM 11 C LIG 1 7.594 -0.094 -0.844 0.00 0.00 +0.015 A ATOM 12 C LIG 1 8.646 0.535 -0.168 0.00 0.00 +0.046 A ATOM 13 C LIG 1 8.385 1.589 0.707 0.00 0.00 +0.130 A ATOM 14 C LIG 1 7.062 2.004 0.892 0.00 0.00 +0.046 A ATOM 15 C LIG 1 6.008 1.377 0.218 0.00 0.00 +0.015 A BRANCH 13 16 ATOM 16 O LIG 1 9.303 2.293 1.430 0.00 0.00 -0.406 OA BRANCH 16 17 ATOM 17 C LIG 1 10.667 1.925 1.308 0.00 0.00 +0.575 C ATOM 18 F LIG 1 10.864 0.649 1.702 0.00 0.00 -0.133 F ATOM 19 F LIG 1 11.405 2.729 2.103 0.00 0.00 -0.133 F ATOM 20 F LIG 1 11.100 2.078 0.038 0.00 0.00 -0.133 F ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 9 10 ENDBRANCH 2 9 ENDBRANCH 1 5 BRANCH 1 21 ATOM 21 C LIG 1 -1.162 -1.406 0.034 0.00 0.00 +0.230 C ATOM 22 N LIG 1 -2.560 -1.445 0.044 0.00 0.00 -0.293 N ATOM 23 O LIG 1 -0.505 -2.132 0.782 0.00 0.00 -0.274 OA BRANCH 22 24 ATOM 24 C LIG 1 -3.214 -2.446 0.890 0.00 0.00 +0.111 C BRANCH 24 25 ATOM 25 C LIG 1 -3.477 -3.697 0.107 0.00 0.00 +0.006 C ATOM 26 C LIG 1 -4.784 -3.912 -0.615 0.00 0.00 +0.005 C ATOM 27 C LIG 1 -4.472 -4.707 0.621 0.00 0.00 +0.005 C ENDBRANCH 24 25 ENDBRANCH 22 24 BRANCH 22 28 ATOM 28 C LIG 1 -3.431 -0.615 -0.794 0.00 0.00 +0.182 C BRANCH 28 29 ATOM 29 C LIG 1 -4.269 0.340 0.049 0.00 0.00 +0.127 A ATOM 30 N LIG 1 -3.601 1.034 1.021 0.00 0.00 -0.309 N ATOM 31 H LIG 1 -2.632 0.835 1.228 0.00 0.00 +0.170 HD ATOM 32 C LIG 1 -4.227 1.917 1.850 0.00 0.00 +0.257 A ATOM 33 O LIG 1 -3.636 2.513 2.741 0.00 0.00 -0.267 OA ATOM 34 C LIG 1 -5.664 2.103 1.590 0.00 0.00 +0.064 A ATOM 35 C LIG 1 -6.422 3.058 2.453 0.00 0.00 +0.202 C ATOM 36 O LIG 1 -7.844 2.920 2.294 0.00 0.00 -0.375 OA ATOM 37 C LIG 1 -8.222 2.851 0.917 0.00 0.00 +0.166 C ATOM 38 C LIG 1 -7.681 1.567 0.290 0.00 0.00 +0.084 C ATOM 39 C LIG 1 -6.215 1.389 0.596 0.00 0.00 +0.056 A ATOM 40 N LIG 1 -5.531 0.496 -0.195 0.00 0.00 -0.237 NA ENDBRANCH 28 29 ENDBRANCH 22 28 ENDBRANCH 1 21 TORSDOF 10