REMARK Name = BDB039166 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -7.185 -1.206 -0.409 0.00 0.00 +0.403 C ATOM 2 N LIG 1 -5.920 -1.766 -0.418 0.00 0.00 -0.263 N ATOM 3 C LIG 1 -4.788 -0.859 -0.260 0.00 0.00 +0.148 C ATOM 4 C LIG 1 -3.465 -1.538 -0.009 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -3.338 -2.945 0.001 0.00 0.00 -0.039 A ATOM 6 C LIG 1 -2.098 -3.548 0.252 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -0.946 -2.787 0.470 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -1.075 -1.394 0.440 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.184 -0.347 0.602 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.896 0.836 0.479 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -2.164 0.587 0.222 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 -4.560 -3.805 -0.201 0.00 0.00 +0.054 C ATOM 13 C LIG 1 -2.299 -0.775 0.207 0.00 0.00 +0.094 A ATOM 14 C LIG 1 -5.640 -3.075 -0.995 0.00 0.00 +0.116 C ATOM 15 O LIG 1 -7.414 -0.034 -0.133 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.311 2.225 0.584 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -1.351 3.244 1.100 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -2.074 3.969 -0.033 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -1.101 4.745 -0.936 0.00 0.00 +0.098 C ATOM 20 C LIG 1 0.313 4.149 -0.957 0.00 0.00 +0.015 C ATOM 21 C LIG 1 0.289 2.637 -0.774 0.00 0.00 +0.012 C BRANCH 19 22 ATOM 22 C LIG 1 -1.015 6.195 -0.513 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -1.027 6.630 0.626 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -0.871 7.029 -1.561 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -0.825 7.918 -1.151 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 -9.477 -1.558 -0.736 0.00 0.00 +0.282 C ATOM 27 O LIG 1 -8.156 -2.100 -0.743 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 1.266 -0.469 0.834 0.00 0.00 +0.086 C ATOM 29 C LIG 1 1.546 -1.161 2.167 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 1.969 -1.070 -0.409 0.00 0.00 +0.031 C BRANCH 30 31 ATOM 31 C LIG 1 3.531 -1.073 -0.500 0.00 0.00 -0.030 C ATOM 32 C LIG 1 4.149 0.252 0.003 0.00 0.00 +0.009 C ATOM 33 C LIG 1 5.678 0.245 0.031 0.00 0.00 +0.032 C ATOM 34 C LIG 1 6.228 -0.933 0.841 0.00 0.00 +0.118 C ATOM 35 C LIG 1 5.661 -2.260 0.329 0.00 0.00 +0.032 C ATOM 36 C LIG 1 4.133 -2.264 0.288 0.00 0.00 +0.009 C ATOM 37 C LIG 1 3.869 -1.260 -2.004 0.00 0.00 +0.011 C BRANCH 34 38 ATOM 38 O LIG 1 7.651 -1.017 0.728 0.00 0.00 -0.380 OA ATOM 39 C LIG 1 8.344 -0.052 1.509 0.00 0.00 +0.194 C ENDBRANCH 34 38 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 8