REMARK Name = BDB039119 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 7.056 -2.182 0.956 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.770 -2.398 1.419 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.685 -1.482 1.077 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.309 -1.956 1.471 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.106 -3.179 2.149 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.813 -3.606 2.483 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.688 -2.830 2.187 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.901 -1.609 1.534 0.00 0.00 +0.069 A ATOM 9 N LIG 1 0.053 -0.604 1.095 0.00 0.00 -0.324 N ATOM 10 C LIG 1 0.834 0.370 0.496 0.00 0.00 +0.114 A ATOM 11 N LIG 1 2.109 0.038 0.548 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.289 -4.061 2.462 0.00 0.00 +0.054 C ATOM 13 C LIG 1 2.172 -1.175 1.178 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.575 -3.250 2.582 0.00 0.00 +0.116 C ATOM 15 O LIG 1 8.041 -2.795 1.354 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 0.342 1.643 -0.136 0.00 0.00 +0.055 C ATOM 17 C LIG 1 0.804 1.730 -1.601 0.00 0.00 +0.012 C ATOM 18 C LIG 1 0.365 3.041 -2.252 0.00 0.00 +0.015 C ATOM 19 C LIG 1 0.841 4.258 -1.454 0.00 0.00 +0.098 C ATOM 20 C LIG 1 0.391 4.170 0.010 0.00 0.00 +0.015 C ATOM 21 C LIG 1 0.838 2.861 0.659 0.00 0.00 +0.012 C BRANCH 19 22 ATOM 22 C LIG 1 0.322 5.524 -2.096 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -0.624 6.201 -1.730 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 1.024 5.868 -3.193 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 0.594 6.691 -3.506 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 8.420 -0.957 -0.502 0.00 0.00 +0.282 C ATOM 27 O LIG 1 7.111 -1.208 0.007 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.406 -0.628 1.259 0.00 0.00 +0.086 C ATOM 29 C LIG 1 -1.903 0.514 2.145 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -2.125 -0.820 -0.097 0.00 0.00 +0.028 C BRANCH 30 31 ATOM 31 C LIG 1 -3.653 -1.026 0.004 0.00 0.00 -0.009 C ATOM 32 C LIG 1 -4.128 -1.962 -1.127 0.00 0.00 +0.006 C ATOM 33 C LIG 1 -5.633 -1.855 -1.331 0.00 0.00 +0.032 C ATOM 34 C LIG 1 -6.043 -0.456 -1.812 0.00 0.00 +0.118 C ATOM 35 C LIG 1 -5.054 0.630 -1.358 0.00 0.00 +0.032 C ATOM 36 C LIG 1 -4.434 0.307 0.001 0.00 0.00 +0.006 C BRANCH 34 37 ATOM 37 O LIG 1 -7.349 -0.202 -1.283 0.00 0.00 -0.380 OA ATOM 38 C LIG 1 -8.114 0.694 -2.079 0.00 0.00 +0.194 C ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 8