REMARK Name = BDB039017 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.062 2.253 -0.138 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.281 1.180 -0.529 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.834 1.363 -0.501 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.036 0.093 -0.657 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.656 -1.155 -0.890 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.889 -2.320 -1.018 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.493 -2.289 -0.944 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.884 -1.047 -0.729 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.431 -0.637 -0.591 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.428 0.741 -0.440 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.807 1.199 -0.407 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 5.161 -1.241 -0.945 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.627 0.121 -0.593 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.790 0.089 -1.350 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.617 3.278 0.365 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.655 1.609 -0.297 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -1.437 3.004 -0.924 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -0.974 4.041 0.098 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -1.989 4.220 1.239 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -2.833 2.966 1.501 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.061 1.691 1.187 0.00 0.00 +0.012 C BRANCH 19 22 ATOM 22 C LIG 1 -2.914 5.385 0.962 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -3.322 5.760 -0.124 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -3.318 5.999 2.091 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -3.904 6.718 1.773 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 8.226 3.134 0.027 0.00 0.00 +0.282 C ATOM 27 O LIG 1 7.388 2.048 -0.371 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.613 -1.506 -0.579 0.00 0.00 +0.090 C ATOM 29 C LIG 1 -1.844 -2.151 -1.949 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -1.565 -2.519 0.584 0.00 0.00 +0.060 C BRANCH 30 31 ATOM 31 C LIG 1 -2.908 -3.146 0.881 0.00 0.00 -0.045 A ATOM 32 C LIG 1 -3.229 -4.415 0.377 0.00 0.00 +0.007 A ATOM 33 C LIG 1 -4.477 -4.998 0.639 0.00 0.00 -0.050 A ATOM 34 C LIG 1 -4.822 -6.341 0.066 0.00 0.00 +0.044 C ATOM 35 C LIG 1 -5.416 -4.287 1.393 0.00 0.00 +0.003 A ATOM 36 C LIG 1 -5.105 -3.027 1.901 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -3.857 -2.459 1.649 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 7