REMARK Name = BDB034387 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.591 -1.079 -1.350 0.00 0.00 -0.343 N ATOM 2 H LIG 1 -0.758 -0.287 -1.967 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.183 -0.842 -0.089 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -2.478 -0.250 -0.012 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -3.040 -0.045 1.269 0.00 0.00 +0.073 A ATOM 6 C LIG 1 -4.291 0.550 1.376 0.00 0.00 +0.037 A ATOM 7 C LIG 1 -5.045 0.950 0.260 0.00 0.00 -0.016 A ATOM 8 C LIG 1 -4.497 0.727 -1.005 0.00 0.00 +0.009 A ATOM 9 N LIG 1 -2.423 -0.407 2.403 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 -1.227 -1.015 2.299 0.00 0.00 +0.113 A ATOM 11 C LIG 1 -3.239 0.135 -1.140 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -0.585 -1.260 1.101 0.00 0.00 +0.043 A BRANCH 7 13 ATOM 13 C LIG 1 -6.370 1.572 0.419 0.00 0.00 -0.018 A ATOM 14 C LIG 1 -6.676 2.795 -0.205 0.00 0.00 +0.011 A ATOM 15 C LIG 1 -7.934 3.385 -0.055 0.00 0.00 +0.039 A ATOM 16 C LIG 1 -8.897 2.754 0.720 0.00 0.00 +0.123 A ATOM 17 F LIG 1 -10.103 3.319 0.864 0.00 0.00 -0.205 F ATOM 18 C LIG 1 -8.627 1.546 1.349 0.00 0.00 +0.039 A ATOM 19 C LIG 1 -7.368 0.958 1.199 0.00 0.00 +0.011 A ENDBRANCH 7 13 ENDBRANCH 1 3 BRANCH 1 20 ATOM 20 C LIG 1 0.793 -1.549 -1.424 0.00 0.00 +0.103 C BRANCH 20 21 ATOM 21 C LIG 1 1.223 -1.645 -2.887 0.00 0.00 +0.034 C BRANCH 21 22 ATOM 22 C LIG 1 2.596 -2.300 -3.081 0.00 0.00 +0.083 C BRANCH 22 23 ATOM 23 N LIG 1 3.702 -1.549 -2.489 0.00 0.00 -0.312 NA ATOM 24 H LIG 1 3.429 -0.585 -2.304 0.00 0.00 +0.122 HD BRANCH 23 25 ATOM 25 C LIG 1 4.182 -2.154 -1.244 0.00 0.00 +0.120 C BRANCH 25 28 ATOM 26 C LIG 1 5.641 0.399 1.225 0.00 0.00 +0.162 A ATOM 27 C LIG 1 4.751 -0.471 0.575 0.00 0.00 +0.163 A ATOM 28 C LIG 1 5.139 -1.231 -0.532 0.00 0.00 +0.011 A ATOM 29 C LIG 1 6.454 -1.091 -0.999 0.00 0.00 +0.009 A ATOM 30 C LIG 1 7.350 -0.230 -0.361 0.00 0.00 +0.004 A ATOM 31 C LIG 1 6.946 0.513 0.751 0.00 0.00 +0.049 A BRANCH 26 33 ATOM 32 C LIG 1 5.976 1.969 2.980 0.00 0.00 +0.277 C ATOM 33 O LIG 1 5.108 1.072 2.297 0.00 0.00 -0.491 OA ENDBRANCH 26 33 BRANCH 27 34 ATOM 34 O LIG 1 3.464 -0.567 1.045 0.00 0.00 -0.503 OA ATOM 35 H LIG 1 3.432 0.054 1.801 0.00 0.00 +0.292 HD ENDBRANCH 27 34 ENDBRANCH 25 28 ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 10