REMARK Name = BDB039219 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.335 1.887 -1.691 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.508 0.780 -1.631 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.100 1.014 -1.327 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.302 -0.229 -1.027 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.882 -1.518 -1.068 0.00 0.00 -0.039 A ATOM 6 C LIG 1 3.121 -2.655 -0.765 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.761 -2.562 -0.448 0.00 0.00 +0.028 A ATOM 8 C LIG 1 1.188 -1.284 -0.435 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.094 -0.817 -0.187 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.064 0.563 -0.297 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.146 0.976 -0.624 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 5.349 -1.662 -1.389 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.931 -0.141 -0.710 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.850 -0.498 -2.240 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.994 3.018 -1.364 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.225 1.498 -0.093 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -1.472 2.331 -1.355 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -2.727 3.197 -1.222 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -2.894 3.842 0.161 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -1.622 3.794 1.010 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -0.996 2.401 1.133 0.00 0.00 +0.012 C BRANCH 19 22 ATOM 22 C LIG 1 -4.057 3.211 0.901 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -4.117 2.073 1.336 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -5.108 4.047 1.025 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -5.780 3.524 1.511 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 8.469 2.704 -2.211 0.00 0.00 +0.282 C ATOM 27 O LIG 1 7.582 1.586 -2.151 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.246 -1.683 0.101 0.00 0.00 +0.088 C ATOM 29 C LIG 1 -2.317 -1.587 -0.989 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -1.730 -1.523 1.554 0.00 0.00 +0.056 C BRANCH 30 31 ATOM 31 C LIG 1 -2.796 -2.535 2.002 0.00 0.00 +0.120 C ATOM 32 O LIG 1 -2.724 -2.622 3.431 0.00 0.00 -0.376 OA ATOM 33 C LIG 1 -3.477 -3.712 3.967 0.00 0.00 +0.160 C ATOM 34 C LIG 1 -4.804 -3.937 3.248 0.00 0.00 +0.028 C ATOM 35 C LIG 1 -5.279 -2.655 2.585 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -4.225 -2.128 1.609 0.00 0.00 +0.032 C ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 7