REMARK Name = BDB034010 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.328 0.311 -2.362 0.00 0.00 +0.165 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.750 0.192 -1.267 0.00 0.00 +0.234 C ATOM 3 N LIG 1 -1.350 -1.041 -1.171 0.00 0.00 -0.309 N ATOM 4 H LIG 1 -0.943 -1.843 -1.640 0.00 0.00 +0.149 HD ATOM 5 O LIG 1 -1.068 1.155 -0.566 0.00 0.00 -0.274 OA BRANCH 3 6 ATOM 6 C LIG 1 -2.269 -1.395 -0.085 0.00 0.00 +0.090 C BRANCH 6 7 ATOM 7 C LIG 1 -3.678 -1.690 -0.671 0.00 0.00 +0.010 C ATOM 8 C LIG 1 -4.683 -2.182 0.381 0.00 0.00 +0.005 C ATOM 9 C LIG 1 -6.033 -2.564 -0.236 0.00 0.00 +0.000 C ATOM 10 C LIG 1 -6.353 -1.821 -1.532 0.00 0.00 +0.000 C ATOM 11 C LIG 1 -5.765 -0.420 -1.526 0.00 0.00 +0.000 C ATOM 12 C LIG 1 -4.240 -0.439 -1.390 0.00 0.00 +0.005 C ENDBRANCH 6 7 BRANCH 6 13 ATOM 13 C LIG 1 -1.626 -2.575 0.690 0.00 0.00 +0.100 C BRANCH 13 14 ATOM 14 N LIG 1 -1.369 -3.737 -0.178 0.00 0.00 -0.328 NA ATOM 15 H LIG 1 -2.254 -4.197 -0.393 0.00 0.00 +0.118 HD ATOM 16 H LIG 1 -0.824 -4.420 0.352 0.00 0.00 +0.118 HD ENDBRANCH 13 14 ENDBRANCH 6 13 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 17 ATOM 17 N LIG 1 0.677 1.724 -2.493 0.00 0.00 -0.303 N ATOM 18 H LIG 1 0.344 2.346 -1.760 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 1.298 2.229 -3.597 0.00 0.00 +0.217 C ATOM 20 O LIG 1 1.681 1.560 -4.546 0.00 0.00 -0.275 OA BRANCH 19 21 ATOM 21 C LIG 1 1.516 3.695 -3.557 0.00 0.00 +0.075 C ATOM 22 C LIG 1 0.370 4.649 -3.311 0.00 0.00 +0.013 C ATOM 23 C LIG 1 0.987 4.561 -4.675 0.00 0.00 +0.013 C ENDBRANCH 19 21 ENDBRANCH 1 17 BRANCH 1 24 ATOM 24 C LIG 1 1.543 -0.590 -2.105 0.00 0.00 +0.094 C BRANCH 24 30 ATOM 25 C LIG 1 4.253 0.480 3.418 0.00 0.00 -0.044 A ATOM 26 C LIG 1 4.379 0.932 2.092 0.00 0.00 +0.021 A ATOM 27 C LIG 1 3.530 0.400 1.106 0.00 0.00 +0.039 A ATOM 28 C LIG 1 2.568 -0.564 1.403 0.00 0.00 +0.078 A ATOM 29 N LIG 1 1.807 -0.995 0.328 0.00 0.00 -0.244 NA ATOM 30 C LIG 1 2.172 -0.360 -0.763 0.00 0.00 +0.082 A ATOM 31 C LIG 1 2.449 -1.012 2.731 0.00 0.00 +0.029 A ATOM 32 S LIG 1 3.460 0.758 -0.576 0.00 0.00 -0.072 S ATOM 33 C LIG 1 3.289 -0.488 3.723 0.00 0.00 +0.006 A BRANCH 25 35 ATOM 34 C LIG 1 4.378 1.769 5.585 0.00 0.00 +0.012 C ATOM 35 C LIG 1 5.169 1.052 4.489 0.00 0.00 +0.013 C ATOM 36 C LIG 1 6.075 -0.028 5.087 0.00 0.00 +0.012 C ENDBRANCH 25 35 ENDBRANCH 24 30 ENDBRANCH 1 24 TORSDOF 10