REMARK Name = BDB010499 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.949 -0.509 -0.059 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.638 -0.172 -0.389 0.00 0.00 -0.318 N ATOM 3 C LIG 1 -0.200 -1.146 0.135 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.657 -2.002 0.800 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.272 -3.073 1.506 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -1.058 -3.219 1.524 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -1.972 -2.443 0.898 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -1.575 -1.391 0.161 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.954 -1.629 0.650 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 15 ATOM 10 C LIG 1 5.621 0.299 -0.457 0.00 0.00 -0.006 A ATOM 11 C LIG 1 5.499 1.584 -0.976 0.00 0.00 +0.145 A ATOM 12 F LIG 1 6.582 2.311 -1.283 0.00 0.00 -0.204 F ATOM 13 C LIG 1 4.237 2.117 -1.176 0.00 0.00 +0.150 A ATOM 14 N LIG 1 3.083 1.461 -0.899 0.00 0.00 -0.249 NA ATOM 15 C LIG 1 3.193 0.211 -0.396 0.00 0.00 +0.107 A ATOM 16 C LIG 1 4.434 -0.391 -0.162 0.00 0.00 +0.038 A BRANCH 10 18 ATOM 17 C LIG 1 7.220 -0.601 1.266 0.00 0.00 +0.012 C ATOM 18 C LIG 1 6.986 -0.312 -0.219 0.00 0.00 +0.016 C ATOM 19 C LIG 1 7.189 -1.577 -1.058 0.00 0.00 +0.012 C ENDBRANCH 10 18 ENDBRANCH 1 15 BRANCH 6 20 ATOM 20 C LIG 1 -1.618 -4.375 2.311 0.00 0.00 +0.375 C ATOM 21 O LIG 1 -2.795 -4.672 2.438 0.00 0.00 -0.242 OA BRANCH 20 22 ATOM 22 O LIG 1 -0.669 -5.125 2.917 0.00 0.00 -0.475 OA ATOM 23 H LIG 1 -1.176 -5.821 3.383 0.00 0.00 +0.296 HD ENDBRANCH 20 22 ENDBRANCH 6 20 BRANCH 8 24 ATOM 24 N LIG 1 -2.502 -0.609 -0.507 0.00 0.00 -0.324 N ATOM 25 H LIG 1 -2.177 -0.351 -1.430 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.941 -0.912 -0.506 0.00 0.00 +0.072 C ATOM 27 C LIG 1 -4.553 -0.808 0.888 0.00 0.00 +0.028 C BRANCH 26 28 ATOM 28 C LIG 1 -4.290 -2.194 -1.272 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -5.788 -2.408 -1.642 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -5.514 -3.923 -1.574 0.00 0.00 +0.001 C ATOM 31 C LIG 1 -4.365 -3.597 -0.598 0.00 0.00 +0.005 C ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 8 24 BRANCH 2 32 ATOM 32 C LIG 1 0.187 0.983 -1.148 0.00 0.00 +0.127 C BRANCH 32 33 ATOM 33 C LIG 1 -0.468 2.087 -0.295 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -1.208 3.085 -1.207 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -1.263 4.512 -0.655 0.00 0.00 +0.003 C ATOM 36 C LIG 1 -1.352 4.576 0.872 0.00 0.00 -0.014 C ATOM 37 C LIG 1 -2.714 4.086 1.375 0.00 0.00 +0.007 C ATOM 38 C LIG 1 -0.194 3.812 1.540 0.00 0.00 +0.003 C ATOM 39 C LIG 1 0.521 2.817 0.618 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 9