REMARK Name = BDB034146 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.681 0.848 0.916 0.00 0.00 +0.169 A ATOM 2 N LIG 1 -2.348 0.857 0.726 0.00 0.00 -0.209 NA ATOM 3 C LIG 1 -1.750 2.045 0.516 0.00 0.00 +0.167 A ATOM 4 N LIG 1 -0.358 2.081 0.310 0.00 0.00 -0.309 N ATOM 5 C LIG 1 0.207 3.406 0.564 0.00 0.00 +0.147 C ATOM 6 C LIG 1 -0.626 4.454 -0.173 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -1.985 4.480 0.287 0.00 0.00 -0.485 OA ATOM 8 C LIG 1 -2.496 3.224 0.475 0.00 0.00 +0.178 A ATOM 9 C LIG 1 -3.853 3.105 0.681 0.00 0.00 +0.162 A ATOM 10 N LIG 1 -4.478 1.932 0.894 0.00 0.00 -0.232 NA ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -4.174 -1.177 2.271 0.00 0.00 +0.229 A ATOM 12 C LIG 1 -4.314 -0.443 1.102 0.00 0.00 +0.102 A ATOM 13 C LIG 1 -5.098 -1.035 0.113 0.00 0.00 +0.062 A ATOM 14 N LIG 1 -5.690 -2.244 0.306 0.00 0.00 -0.239 NA ATOM 15 C LIG 1 -5.481 -2.852 1.479 0.00 0.00 +0.225 A ATOM 16 N LIG 1 -4.744 -2.381 2.486 0.00 0.00 -0.201 NA BRANCH 13 17 ATOM 17 C LIG 1 -5.338 -0.364 -1.230 0.00 0.00 +0.039 C ATOM 18 C LIG 1 -4.206 -0.244 -2.227 0.00 0.00 +0.010 C ATOM 19 C LIG 1 -5.341 -1.184 -2.502 0.00 0.00 +0.010 C ENDBRANCH 13 17 BRANCH 11 21 ATOM 20 C LIG 1 -3.327 -1.436 4.451 0.00 0.00 +0.279 C ATOM 21 O LIG 1 -3.413 -0.623 3.287 0.00 0.00 -0.479 OA ENDBRANCH 11 21 ENDBRANCH 1 12 BRANCH 4 22 ATOM 22 C LIG 1 0.404 0.913 0.755 0.00 0.00 +0.110 C BRANCH 22 23 ATOM 23 C LIG 1 0.478 -0.159 -0.356 0.00 0.00 +0.009 C ATOM 24 C LIG 1 1.164 -1.437 0.154 0.00 0.00 +0.024 C ATOM 25 C LIG 1 2.670 -1.255 0.345 0.00 0.00 +0.108 C ATOM 26 N LIG 1 3.286 -0.782 -0.908 0.00 0.00 -0.301 N ATOM 27 C LIG 1 2.714 0.492 -1.385 0.00 0.00 +0.108 C ATOM 28 C LIG 1 1.212 0.335 -1.614 0.00 0.00 +0.024 C BRANCH 26 29 ATOM 29 C LIG 1 4.648 -0.790 -0.892 0.00 0.00 +0.198 A ATOM 30 N LIG 1 5.367 -1.932 -1.153 0.00 0.00 -0.321 N ATOM 31 C LIG 1 4.829 -3.215 -1.532 0.00 0.00 +0.151 C ATOM 32 C LIG 1 6.697 -1.626 -1.058 0.00 0.00 +0.120 A ATOM 33 C LIG 1 6.748 -0.273 -0.766 0.00 0.00 +0.163 A ATOM 34 N LIG 1 5.455 0.225 -0.681 0.00 0.00 -0.210 NA BRANCH 33 35 ATOM 35 C LIG 1 7.961 0.585 -0.563 0.00 0.00 +0.436 C ATOM 36 F LIG 1 8.634 0.241 0.569 0.00 0.00 -0.164 F ATOM 37 F LIG 1 7.675 1.909 -0.460 0.00 0.00 -0.164 F ATOM 38 F LIG 1 8.846 0.457 -1.589 0.00 0.00 -0.164 F ENDBRANCH 33 35 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 7