REMARK Name = BDB034172 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.792 0.148 2.350 0.00 0.00 -0.294 NA ATOM 2 C LIG 1 0.234 -1.043 1.708 0.00 0.00 +0.089 C ATOM 3 C LIG 1 -1.299 -0.927 1.614 0.00 0.00 +0.051 C ATOM 4 C LIG 1 -1.752 0.420 1.097 0.00 0.00 -0.040 C ATOM 5 C LIG 1 -0.889 1.454 1.081 0.00 0.00 -0.007 C ATOM 6 C LIG 1 0.535 1.354 1.560 0.00 0.00 +0.112 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.146 0.562 0.633 0.00 0.00 -0.004 A ATOM 8 C LIG 1 -3.474 1.280 -0.518 0.00 0.00 +0.119 A ATOM 9 N LIG 1 -4.730 1.435 -1.002 0.00 0.00 -0.250 NA ATOM 10 C LIG 1 -5.729 0.845 -0.305 0.00 0.00 +0.125 A ATOM 11 C LIG 1 -5.515 0.102 0.851 0.00 0.00 +0.033 A ATOM 12 C LIG 1 -4.207 -0.040 1.317 0.00 0.00 +0.012 A BRANCH 10 13 ATOM 13 C LIG 1 -7.114 1.027 -0.849 0.00 0.00 +0.263 C ATOM 14 N LIG 1 -7.947 -0.081 -0.771 0.00 0.00 -0.302 N ATOM 15 H LIG 1 -7.511 -0.988 -0.643 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -7.478 2.085 -1.349 0.00 0.00 -0.269 OA BRANCH 14 17 ATOM 17 C LIG 1 -9.257 -0.047 -1.428 0.00 0.00 +0.217 C BRANCH 17 18 ATOM 18 C LIG 1 -10.187 -1.194 -1.046 0.00 0.00 +0.405 C ATOM 19 F LIG 1 -10.505 -1.160 0.267 0.00 0.00 -0.169 F ATOM 20 F LIG 1 -11.336 -1.155 -1.753 0.00 0.00 -0.169 F ATOM 21 F LIG 1 -9.594 -2.388 -1.289 0.00 0.00 -0.169 F ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 22 ATOM 22 C LIG 1 2.182 0.010 2.794 0.00 0.00 +0.121 C BRANCH 22 32 ATOM 23 C LIG 1 6.778 -0.045 -1.827 0.00 0.00 +0.019 A ATOM 24 C LIG 1 6.502 1.383 -1.456 0.00 0.00 +0.252 A ATOM 25 O LIG 1 7.087 2.318 -1.992 0.00 0.00 -0.268 OA ATOM 26 N LIG 1 5.560 1.604 -0.484 0.00 0.00 -0.321 N ATOM 27 H LIG 1 5.391 2.572 -0.245 0.00 0.00 +0.169 HD ATOM 28 C LIG 1 4.855 0.574 0.148 0.00 0.00 +0.068 A ATOM 29 C LIG 1 5.099 -0.751 -0.202 0.00 0.00 +0.088 A ATOM 30 N LIG 1 4.467 -1.803 0.358 0.00 0.00 -0.253 NA ATOM 31 C LIG 1 3.548 -1.511 1.308 0.00 0.00 +0.116 A ATOM 32 C LIG 1 3.222 -0.220 1.727 0.00 0.00 -0.013 A ATOM 33 C LIG 1 3.906 0.845 1.127 0.00 0.00 +0.034 A ATOM 34 C LIG 1 6.094 -1.037 -1.229 0.00 0.00 +0.038 A BRANCH 23 36 ATOM 35 C LIG 1 9.227 -0.166 -2.379 0.00 0.00 +0.009 C ATOM 36 C LIG 1 7.802 -0.291 -2.901 0.00 0.00 +0.037 C ENDBRANCH 23 36 ENDBRANCH 22 32 ENDBRANCH 1 22 TORSDOF 7