REMARK Name = BDB039220 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.044 1.125 0.386 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.003 0.273 0.059 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.648 0.779 0.243 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.562 -0.259 0.114 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.850 -1.604 -0.211 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.823 -2.554 -0.297 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.484 -2.202 -0.104 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.203 -0.862 0.187 0.00 0.00 +0.070 A ATOM 9 N LIG 1 -0.969 -0.153 0.401 0.00 0.00 -0.319 N ATOM 10 C LIG 1 -0.621 1.140 0.777 0.00 0.00 +0.161 A ATOM 11 N LIG 1 0.684 1.311 0.632 0.00 0.00 -0.226 NA ATOM 12 C LIG 1 4.283 -2.034 -0.401 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.209 0.090 0.309 0.00 0.00 +0.095 A ATOM 14 C LIG 1 5.169 -0.868 -0.832 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.895 2.204 0.949 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.526 2.194 1.259 0.00 0.00 +0.106 A ATOM 17 N LIG 1 -2.651 1.792 1.901 0.00 0.00 -0.252 NA ATOM 18 C LIG 1 -3.465 2.758 2.383 0.00 0.00 +0.111 A ATOM 19 C LIG 1 -3.213 4.114 2.259 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -2.051 4.508 1.608 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -1.191 3.536 1.105 0.00 0.00 +0.031 A ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 8.357 1.486 0.345 0.00 0.00 +0.282 C ATOM 23 O LIG 1 7.259 0.636 0.014 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -2.331 -0.660 0.194 0.00 0.00 +0.091 C ATOM 25 C LIG 1 -2.731 -1.637 1.302 0.00 0.00 +0.031 C BRANCH 24 26 ATOM 26 C LIG 1 -2.531 -1.233 -1.228 0.00 0.00 +0.060 C BRANCH 26 27 ATOM 27 C LIG 1 -3.985 -1.368 -1.621 0.00 0.00 -0.045 A ATOM 28 C LIG 1 -4.613 -2.621 -1.617 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -5.958 -2.738 -1.971 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -6.687 -1.607 -2.331 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -6.073 -0.357 -2.339 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -4.728 -0.236 -1.986 0.00 0.00 +0.004 A ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 9 24 TORSDOF 5