REMARK Name = BDB039241 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.983 -1.802 -0.869 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.152 -0.696 -0.862 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.737 -0.927 -0.595 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.932 0.319 -0.330 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.505 1.610 -0.409 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.737 2.752 -0.142 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.381 2.664 0.183 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.818 1.384 0.240 0.00 0.00 +0.071 A ATOM 9 N LIG 1 -0.453 0.915 0.519 0.00 0.00 -0.309 N ATOM 10 C LIG 1 -0.418 -0.460 0.428 0.00 0.00 +0.199 A ATOM 11 N LIG 1 0.780 -0.888 0.110 0.00 0.00 -0.214 NA ATOM 12 C LIG 1 4.973 1.754 -0.725 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.561 0.233 -0.007 0.00 0.00 +0.096 A ATOM 14 C LIG 1 5.502 0.560 -1.514 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.633 -2.924 -0.523 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 N LIG 1 -1.522 -1.229 0.643 0.00 0.00 -0.301 N ATOM 17 C LIG 1 -2.030 -1.889 -0.583 0.00 0.00 +0.109 C ATOM 18 C LIG 1 -1.730 -3.385 -0.600 0.00 0.00 +0.033 C ATOM 19 C LIG 1 -2.366 -4.094 0.606 0.00 0.00 +0.101 C ATOM 20 C LIG 1 -2.469 -3.177 1.829 0.00 0.00 +0.033 C ATOM 21 C LIG 1 -1.366 -2.128 1.808 0.00 0.00 +0.109 C BRANCH 19 22 ATOM 22 C LIG 1 -3.730 -4.671 0.311 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -4.223 -5.638 0.870 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -4.442 -3.986 -0.600 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -5.295 -4.469 -0.643 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 8.128 -2.627 -1.316 0.00 0.00 +0.282 C ATOM 27 O LIG 1 7.240 -1.510 -1.304 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.609 1.754 0.839 0.00 0.00 +0.092 C ATOM 29 C LIG 1 -2.102 1.527 2.272 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -2.728 1.616 -0.212 0.00 0.00 +0.060 C BRANCH 30 31 ATOM 31 C LIG 1 -3.678 2.792 -0.222 0.00 0.00 -0.045 A ATOM 32 C LIG 1 -4.915 2.716 0.431 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -5.782 3.809 0.434 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.421 4.988 -0.216 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.193 5.074 -0.870 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -3.325 3.982 -0.873 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 7