REMARK Name = BDB037471 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.017 -2.891 -0.320 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.863 -1.773 -0.260 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -0.772 -0.788 0.703 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -1.298 0.363 0.056 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -1.973 0.006 -1.052 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 -0.001 -1.092 1.942 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.343 -1.694 1.500 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -1.884 -1.351 -1.099 0.00 0.00 -0.217 N ATOM 9 C LIG 1 1.073 -2.943 0.598 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.871 -3.885 0.593 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.083 1.781 0.387 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -2.177 2.628 0.371 0.00 0.00 -0.278 N ATOM 13 C LIG 1 -3.569 2.298 0.053 0.00 0.00 +0.182 C ATOM 14 C LIG 1 -4.353 3.382 0.794 0.00 0.00 +0.076 C ATOM 15 C LIG 1 -3.442 4.600 0.689 0.00 0.00 +0.186 C ATOM 16 F LIG 1 -3.705 5.456 1.702 0.00 0.00 -0.244 F ATOM 17 C LIG 1 -2.047 4.007 0.819 0.00 0.00 +0.146 C ATOM 18 O LIG 1 0.044 2.194 0.658 0.00 0.00 -0.268 OA BRANCH 13 19 ATOM 19 C LIG 1 -3.849 2.372 -1.401 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -4.100 2.480 -2.530 0.00 0.00 -0.195 NA ENDBRANCH 13 19 ENDBRANCH 4 11 BRANCH 6 21 ATOM 21 C LIG 1 -0.090 0.064 2.916 0.00 0.00 -0.037 A ATOM 22 C LIG 1 1.030 0.808 3.320 0.00 0.00 +0.007 A ATOM 23 C LIG 1 0.900 1.860 4.232 0.00 0.00 +0.038 A ATOM 24 C LIG 1 -0.345 2.165 4.761 0.00 0.00 +0.123 A ATOM 25 F LIG 1 -0.466 3.174 5.634 0.00 0.00 -0.205 F ATOM 26 C LIG 1 -1.467 1.431 4.406 0.00 0.00 +0.038 A ATOM 27 C LIG 1 -1.339 0.381 3.496 0.00 0.00 +0.007 A ENDBRANCH 6 21 BRANCH 8 28 ATOM 28 C LIG 1 -2.876 -2.086 -1.798 0.00 0.00 +0.067 A ATOM 29 C LIG 1 -3.237 -3.375 -1.386 0.00 0.00 +0.028 A ATOM 30 C LIG 1 -4.252 -4.063 -2.056 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -4.920 -3.462 -3.121 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -4.587 -2.167 -3.513 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -3.575 -1.473 -2.849 0.00 0.00 +0.028 A ENDBRANCH 8 28 BRANCH 7 34 ATOM 34 N LIG 1 2.179 -0.763 0.729 0.00 0.00 -0.299 N ATOM 35 H LIG 1 1.775 -0.349 -0.102 0.00 0.00 +0.150 HD ATOM 36 C LIG 1 3.545 -0.718 0.881 0.00 0.00 +0.245 C ATOM 37 O LIG 1 4.157 -1.363 1.722 0.00 0.00 -0.270 OA BRANCH 36 38 ATOM 38 C LIG 1 4.275 0.179 -0.054 0.00 0.00 +0.037 A ATOM 39 C LIG 1 5.582 -0.163 -0.421 0.00 0.00 +0.025 A ATOM 40 C LIG 1 6.315 0.655 -1.297 0.00 0.00 +0.056 A ATOM 41 C LIG 1 5.713 1.818 -1.801 0.00 0.00 +0.012 A ATOM 42 C LIG 1 4.417 2.171 -1.420 0.00 0.00 +0.001 A ATOM 43 C LIG 1 3.698 1.357 -0.544 0.00 0.00 +0.013 A BRANCH 40 44 ATOM 44 C LIG 1 7.712 0.265 -1.715 0.00 0.00 +0.417 C ATOM 45 F LIG 1 8.465 1.325 -2.121 0.00 0.00 -0.166 F ATOM 46 F LIG 1 7.711 -0.612 -2.756 0.00 0.00 -0.166 F ATOM 47 F LIG 1 8.422 -0.334 -0.719 0.00 0.00 -0.166 F ENDBRANCH 40 44 ENDBRANCH 36 38 ENDBRANCH 7 34 BRANCH 1 49 ATOM 48 C LIG 1 0.986 -3.252 -2.555 0.00 0.00 +0.025 C ATOM 49 C LIG 1 0.081 -3.807 -1.462 0.00 0.00 +0.112 C ENDBRANCH 1 49 TORSDOF 8