REMARK Name = BDB039059 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.132 2.655 1.468 0.00 0.00 +0.403 C ATOM 2 N LIG 1 -4.157 2.489 0.502 0.00 0.00 -0.263 N ATOM 3 C LIG 1 -3.314 1.296 0.479 0.00 0.00 +0.148 C ATOM 4 C LIG 1 -2.158 1.357 -0.486 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -1.946 2.473 -1.327 0.00 0.00 -0.039 A ATOM 6 C LIG 1 -0.855 2.509 -2.204 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.043 1.442 -2.298 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -0.176 0.337 -1.465 0.00 0.00 +0.069 A ATOM 9 N LIG 1 0.505 -0.854 -1.264 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.220 -1.597 -0.345 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -1.255 -0.905 0.093 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 -2.873 3.660 -1.237 0.00 0.00 +0.054 C ATOM 13 C LIG 1 -1.250 0.282 -0.586 0.00 0.00 +0.094 A ATOM 14 C LIG 1 -4.252 3.254 -0.731 0.00 0.00 +0.116 C ATOM 15 O LIG 1 -5.984 3.535 1.441 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 0.081 -2.996 0.121 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -1.018 -3.972 -0.349 0.00 0.00 +0.011 C ATOM 18 C LIG 1 -1.176 -5.200 0.555 0.00 0.00 +0.001 C ATOM 19 C LIG 1 0.129 -5.574 1.242 0.00 0.00 +0.000 C ATOM 20 C LIG 1 0.650 -4.441 2.128 0.00 0.00 +0.001 C ATOM 21 C LIG 1 0.235 -3.047 1.647 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 -6.037 1.861 3.477 0.00 0.00 +0.282 C ATOM 23 O LIG 1 -5.044 1.728 2.460 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 1.733 -1.215 -1.966 0.00 0.00 +0.086 C ATOM 25 C LIG 1 1.508 -2.394 -2.922 0.00 0.00 +0.031 C BRANCH 24 26 ATOM 26 C LIG 1 2.976 -1.436 -1.072 0.00 0.00 +0.028 C BRANCH 26 27 ATOM 27 C LIG 1 3.591 -0.217 -0.345 0.00 0.00 -0.009 C ATOM 28 C LIG 1 2.814 0.239 0.903 0.00 0.00 +0.004 C ATOM 29 C LIG 1 2.457 1.721 0.905 0.00 0.00 +0.015 C ATOM 30 C LIG 1 3.659 2.623 0.618 0.00 0.00 +0.098 C ATOM 31 C LIG 1 4.580 2.089 -0.489 0.00 0.00 +0.015 C ATOM 32 C LIG 1 3.950 0.945 -1.280 0.00 0.00 +0.004 C BRANCH 30 33 ATOM 33 C LIG 1 3.154 4.008 0.279 0.00 0.00 +0.308 C ATOM 34 O LIG 1 2.854 4.436 -0.821 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 3.031 4.786 1.374 0.00 0.00 -0.480 OA ATOM 36 H LIG 1 2.686 5.638 1.030 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 9 24 TORSDOF 7