REMARK Name = BDB038924 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.763 1.741 0.495 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.860 0.867 -0.083 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.421 1.099 0.017 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.561 -0.036 -0.477 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.120 -1.216 -1.016 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.296 -2.267 -1.435 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.902 -2.172 -1.372 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.349 -0.990 -0.867 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.944 -0.541 -0.665 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.862 0.702 -0.047 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.394 1.080 0.071 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.619 -1.369 -1.078 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.154 0.052 -0.414 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.316 -0.014 -1.146 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.972 1.713 0.293 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -2.042 1.534 0.397 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -2.442 2.538 -0.702 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -1.868 3.932 -0.455 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -2.341 4.523 0.884 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -2.622 3.454 1.950 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -1.751 2.220 1.749 0.00 0.00 +0.012 C BRANCH 19 22 ATOM 22 C LIG 1 -3.583 5.367 0.694 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -4.461 5.206 -0.136 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -3.671 6.361 1.599 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -4.509 6.816 1.374 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 6.059 3.562 1.940 0.00 0.00 +0.282 C ATOM 27 O LIG 1 5.160 2.643 1.318 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -2.192 -1.195 -1.063 0.00 0.00 +0.090 C ATOM 29 C LIG 1 -2.169 -1.829 -2.457 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -2.809 -2.094 0.036 0.00 0.00 +0.060 C BRANCH 30 31 ATOM 31 C LIG 1 -2.092 -3.386 0.365 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -2.496 -4.641 -0.141 0.00 0.00 -0.047 A ATOM 33 C LIG 1 -3.713 -4.808 -1.010 0.00 0.00 +0.044 C ATOM 34 C LIG 1 -1.765 -5.790 0.208 0.00 0.00 +0.003 A ATOM 35 C LIG 1 -0.658 -5.710 1.051 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -0.273 -4.482 1.570 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -0.988 -3.333 1.237 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 7