REMARK Name = BDB037303 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.124 -2.431 -1.358 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.753 -2.406 -1.073 0.00 0.00 +0.137 A ATOM 3 C LIG 1 -0.085 -1.336 -0.510 0.00 0.00 +0.044 A ATOM 4 C LIG 1 1.168 -1.853 -0.102 0.00 0.00 +0.154 A ATOM 5 N LIG 1 1.296 -3.123 -0.471 0.00 0.00 -0.149 NA ATOM 6 C LIG 1 -0.727 0.002 -0.339 0.00 0.00 +0.085 C ATOM 7 C LIG 1 -1.951 0.091 -1.286 0.00 0.00 +0.172 C ATOM 8 N LIG 1 0.211 -3.397 -1.237 0.00 0.00 -0.216 N ATOM 9 C LIG 1 -2.813 -1.200 -1.368 0.00 0.00 +0.242 C ATOM 10 O LIG 1 -4.030 -1.139 -1.575 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -0.886 0.209 1.157 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -1.506 -0.731 2.003 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -1.607 -0.500 3.377 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -1.100 0.674 3.916 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -1.196 0.895 5.233 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -0.495 1.626 3.106 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -0.391 1.397 1.733 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 0.277 -4.476 -2.163 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -0.502 -4.486 -3.329 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -0.397 -5.546 -4.233 0.00 0.00 +0.002 A ATOM 21 C LIG 1 0.496 -6.589 -3.990 0.00 0.00 +0.000 A ATOM 22 C LIG 1 1.298 -6.568 -2.851 0.00 0.00 +0.002 A ATOM 23 C LIG 1 1.198 -5.511 -1.943 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 4 24 ATOM 24 N LIG 1 2.102 -1.154 0.631 0.00 0.00 -0.258 N ATOM 25 H LIG 1 1.837 -0.236 0.954 0.00 0.00 +0.157 HD ATOM 26 C LIG 1 3.313 -1.648 1.047 0.00 0.00 +0.294 C ATOM 27 O LIG 1 3.842 -2.716 0.790 0.00 0.00 -0.260 OA BRANCH 26 28 ATOM 28 C LIG 1 4.037 -0.725 1.899 0.00 0.00 -0.006 C ATOM 29 C LIG 1 4.647 0.038 2.601 0.00 0.00 -0.077 C BRANCH 29 30 ATOM 30 C LIG 1 5.416 0.951 3.458 0.00 0.00 +0.174 C BRANCH 30 31 ATOM 31 N LIG 1 6.229 1.921 2.723 0.00 0.00 -0.287 NA ATOM 32 C LIG 1 7.266 1.319 1.865 0.00 0.00 +0.113 C ATOM 33 C LIG 1 6.976 1.464 0.361 0.00 0.00 +0.175 C ATOM 34 O LIG 1 6.796 2.824 -0.060 0.00 0.00 -0.377 OA ATOM 35 C LIG 1 6.302 3.680 0.979 0.00 0.00 +0.175 C ATOM 36 C LIG 1 5.438 2.933 2.006 0.00 0.00 +0.113 C ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 26 28 ENDBRANCH 4 24 BRANCH 7 37 ATOM 37 N LIG 1 -2.739 1.331 -1.244 0.00 0.00 -0.299 N ATOM 38 H LIG 1 -3.047 1.673 -2.146 0.00 0.00 +0.150 HD ATOM 39 C LIG 1 -3.589 1.625 -0.196 0.00 0.00 +0.245 C ATOM 40 O LIG 1 -3.703 0.938 0.808 0.00 0.00 -0.270 OA BRANCH 39 41 ATOM 41 C LIG 1 -4.442 2.836 -0.364 0.00 0.00 +0.037 A ATOM 42 C LIG 1 -4.057 3.912 -1.175 0.00 0.00 +0.025 A ATOM 43 C LIG 1 -4.881 5.046 -1.296 0.00 0.00 +0.056 A ATOM 44 C LIG 1 -6.098 5.081 -0.598 0.00 0.00 +0.012 A ATOM 45 C LIG 1 -6.476 4.018 0.222 0.00 0.00 +0.001 A ATOM 46 C LIG 1 -5.649 2.901 0.342 0.00 0.00 +0.013 A BRANCH 43 47 ATOM 47 C LIG 1 -4.479 6.196 -2.188 0.00 0.00 +0.417 C ATOM 48 F LIG 1 -4.900 7.405 -1.725 0.00 0.00 -0.166 F ATOM 49 F LIG 1 -3.129 6.303 -2.339 0.00 0.00 -0.166 F ATOM 50 F LIG 1 -4.986 6.074 -3.445 0.00 0.00 -0.166 F ENDBRANCH 43 47 ENDBRANCH 39 41 ENDBRANCH 7 37 BRANCH 1 52 ATOM 51 C LIG 1 -3.539 -3.882 0.072 0.00 0.00 +0.025 C ATOM 52 C LIG 1 -2.946 -3.647 -1.312 0.00 0.00 +0.112 C ENDBRANCH 1 52 TORSDOF 10