REMARK Name = BDB041170 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.860 -0.973 0.775 0.00 0.00 +0.169 A ATOM 2 N LIG 1 2.577 -0.652 0.520 0.00 0.00 -0.211 NA ATOM 3 C LIG 1 1.641 -1.614 0.642 0.00 0.00 +0.140 A ATOM 4 C LIG 1 1.994 -2.912 0.985 0.00 0.00 +0.109 A ATOM 5 C LIG 1 3.333 -3.148 1.212 0.00 0.00 +0.135 A ATOM 6 N LIG 1 4.287 -2.202 1.115 0.00 0.00 -0.234 NA ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 4.894 1.179 1.469 0.00 0.00 +0.229 A ATOM 8 C LIG 1 4.856 0.072 0.633 0.00 0.00 +0.102 A ATOM 9 C LIG 1 5.841 0.036 -0.355 0.00 0.00 +0.062 A ATOM 10 N LIG 1 6.772 1.021 -0.464 0.00 0.00 -0.239 NA ATOM 11 C LIG 1 6.702 2.036 0.403 0.00 0.00 +0.225 A ATOM 12 N LIG 1 5.802 2.172 1.377 0.00 0.00 -0.201 NA BRANCH 9 13 ATOM 13 C LIG 1 5.932 -1.100 -1.361 0.00 0.00 +0.039 C ATOM 14 C LIG 1 4.873 -1.250 -2.432 0.00 0.00 +0.010 C ATOM 15 C LIG 1 6.253 -0.807 -2.810 0.00 0.00 +0.010 C ENDBRANCH 9 13 BRANCH 7 17 ATOM 16 C LIG 1 4.040 2.431 3.269 0.00 0.00 +0.279 C ATOM 17 O LIG 1 3.953 1.247 2.484 0.00 0.00 -0.479 OA ENDBRANCH 7 17 ENDBRANCH 1 8 BRANCH 3 18 ATOM 18 N LIG 1 0.306 -1.295 0.341 0.00 0.00 -0.324 N ATOM 19 H LIG 1 -0.333 -1.643 1.052 0.00 0.00 +0.148 HD BRANCH 18 20 ATOM 20 C LIG 1 0.051 0.112 0.049 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 C LIG 1 -1.430 0.294 -0.190 0.00 0.00 -0.030 A ATOM 22 C LIG 1 -2.004 -0.104 -1.405 0.00 0.00 +0.006 A ATOM 23 C LIG 1 -3.374 0.050 -1.627 0.00 0.00 +0.012 A ATOM 24 C LIG 1 -4.202 0.584 -0.633 0.00 0.00 +0.017 A ATOM 25 C LIG 1 -3.629 0.990 0.579 0.00 0.00 +0.012 A ATOM 26 C LIG 1 -2.256 0.839 0.802 0.00 0.00 +0.006 A BRANCH 24 27 ATOM 27 C LIG 1 -5.634 0.732 -0.893 0.00 0.00 +0.141 A ATOM 28 N LIG 1 -6.649 0.244 -0.098 0.00 0.00 -0.333 N ATOM 29 C LIG 1 -6.508 -0.555 1.097 0.00 0.00 +0.150 C ATOM 30 C LIG 1 -7.845 0.587 -0.668 0.00 0.00 +0.119 A ATOM 31 C LIG 1 -7.529 1.258 -1.835 0.00 0.00 +0.162 A ATOM 32 N LIG 1 -6.148 1.319 -1.960 0.00 0.00 -0.224 NA BRANCH 31 33 ATOM 33 C LIG 1 -8.454 1.845 -2.861 0.00 0.00 +0.436 C ATOM 34 F LIG 1 -8.273 1.306 -4.095 0.00 0.00 -0.164 F ATOM 35 F LIG 1 -8.303 3.190 -2.986 0.00 0.00 -0.164 F ATOM 36 F LIG 1 -9.762 1.636 -2.539 0.00 0.00 -0.164 F ENDBRANCH 31 33 ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 3 18 BRANCH 4 37 ATOM 37 C LIG 1 1.050 -3.972 1.110 0.00 0.00 +0.104 C ATOM 38 N LIG 1 0.295 -4.843 1.245 0.00 0.00 -0.191 NA ENDBRANCH 4 37 TORSDOF 9