REMARK Name = BDB034145 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.674 -0.092 1.218 0.00 0.00 +0.169 A ATOM 2 N LIG 1 -1.877 0.938 0.878 0.00 0.00 -0.208 NA ATOM 3 C LIG 1 -1.469 1.755 1.867 0.00 0.00 +0.174 A ATOM 4 N LIG 1 -0.598 2.822 1.548 0.00 0.00 -0.246 N ATOM 5 C LIG 1 -0.079 3.625 2.544 0.00 0.00 +0.259 C ATOM 6 C LIG 1 -0.430 3.207 3.972 0.00 0.00 +0.325 C ATOM 7 O LIG 1 -1.572 2.407 4.215 0.00 0.00 -0.478 OA ATOM 8 O LIG 1 0.670 4.580 2.334 0.00 0.00 -0.271 OA ATOM 9 C LIG 1 -1.895 1.598 3.174 0.00 0.00 +0.179 A ATOM 10 C LIG 1 -2.757 0.549 3.404 0.00 0.00 +0.162 A ATOM 11 N LIG 1 -3.156 -0.315 2.452 0.00 0.00 -0.232 NA ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 -2.146 -1.993 -0.282 0.00 0.00 +0.229 A ATOM 13 C LIG 1 -3.032 -1.024 0.168 0.00 0.00 +0.102 A ATOM 14 C LIG 1 -4.267 -0.992 -0.476 0.00 0.00 +0.062 A ATOM 15 N LIG 1 -4.561 -1.861 -1.480 0.00 0.00 -0.239 NA ATOM 16 C LIG 1 -3.627 -2.757 -1.817 0.00 0.00 +0.225 A ATOM 17 N LIG 1 -2.417 -2.871 -1.268 0.00 0.00 -0.201 NA BRANCH 14 18 ATOM 18 C LIG 1 -5.330 0.038 -0.126 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -6.172 -0.141 1.118 0.00 0.00 +0.010 C ATOM 20 C LIG 1 -6.798 -0.313 -0.232 0.00 0.00 +0.010 C ENDBRANCH 14 18 BRANCH 12 22 ATOM 21 C LIG 1 -0.021 -3.013 -0.239 0.00 0.00 +0.279 C ATOM 22 O LIG 1 -0.908 -2.058 0.336 0.00 0.00 -0.479 OA ENDBRANCH 12 22 ENDBRANCH 1 13 BRANCH 4 23 ATOM 23 C LIG 1 -0.199 3.026 0.161 0.00 0.00 +0.150 C BRANCH 23 24 ATOM 24 C LIG 1 0.913 2.095 -0.275 0.00 0.00 -0.030 A ATOM 25 C LIG 1 0.645 1.033 -1.149 0.00 0.00 +0.006 A ATOM 26 C LIG 1 1.657 0.146 -1.521 0.00 0.00 +0.012 A ATOM 27 C LIG 1 2.960 0.303 -1.035 0.00 0.00 +0.017 A ATOM 28 C LIG 1 3.229 1.360 -0.157 0.00 0.00 +0.012 A ATOM 29 C LIG 1 2.217 2.252 0.213 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 3.987 -0.665 -1.422 0.00 0.00 +0.141 A ATOM 31 N LIG 1 5.236 -0.362 -1.920 0.00 0.00 -0.333 N ATOM 32 C LIG 1 5.755 0.950 -2.227 0.00 0.00 +0.150 C ATOM 33 C LIG 1 5.902 -1.535 -2.152 0.00 0.00 +0.119 A ATOM 34 C LIG 1 5.019 -2.545 -1.819 0.00 0.00 +0.162 A ATOM 35 N LIG 1 3.829 -1.978 -1.385 0.00 0.00 -0.224 NA BRANCH 34 36 ATOM 36 C LIG 1 5.220 -4.030 -1.891 0.00 0.00 +0.436 C ATOM 37 F LIG 1 6.458 -4.351 -2.362 0.00 0.00 -0.164 F ATOM 38 F LIG 1 4.328 -4.634 -2.720 0.00 0.00 -0.164 F ATOM 39 F LIG 1 5.105 -4.629 -0.677 0.00 0.00 -0.164 F ENDBRANCH 34 36 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 7