REMARK Name = BDB037092 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.029 1.643 -0.760 0.00 0.00 +0.267 C ATOM 2 N LIG 1 -1.142 1.050 -0.158 0.00 0.00 -0.181 N ATOM 3 H LIG 1 -1.124 0.052 0.052 0.00 0.00 +0.177 HD ATOM 4 O LIG 1 -0.024 2.784 -1.195 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 6 ATOM 5 C LIG 1 1.368 -0.426 -0.174 0.00 0.00 +0.133 A ATOM 6 C LIG 1 1.191 0.785 -0.859 0.00 0.00 +0.080 A ATOM 7 C LIG 1 2.220 1.232 -1.704 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.382 0.475 -1.881 0.00 0.00 +0.006 A ATOM 9 C LIG 1 3.541 -0.753 -1.224 0.00 0.00 -0.023 A ATOM 10 C LIG 1 2.521 -1.198 -0.372 0.00 0.00 +0.051 A BRANCH 5 12 ATOM 11 C LIG 1 0.777 -0.719 2.034 0.00 0.00 +0.277 C ATOM 12 O LIG 1 0.402 -0.922 0.666 0.00 0.00 -0.494 OA ENDBRANCH 5 12 BRANCH 9 13 ATOM 13 C LIG 1 4.791 -1.574 -1.431 0.00 0.00 +0.178 C BRANCH 13 14 ATOM 14 N LIG 1 5.942 -0.973 -0.771 0.00 0.00 -0.267 N ATOM 15 N LIG 1 6.844 -0.273 -1.490 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 7.746 0.107 -0.582 0.00 0.00 +0.134 A ATOM 17 C LIG 1 7.438 -0.360 0.708 0.00 0.00 +0.041 A ATOM 18 C LIG 1 6.267 -1.065 0.554 0.00 0.00 +0.108 A ENDBRANCH 13 14 ENDBRANCH 9 13 ENDBRANCH 1 6 BRANCH 2 19 ATOM 19 S LIG 1 -2.611 1.807 0.036 0.00 0.00 +0.082 S ATOM 20 O LIG 1 -2.398 2.885 0.978 0.00 0.00 -0.150 OA ATOM 21 O LIG 1 -3.203 2.030 -1.266 0.00 0.00 -0.150 OA BRANCH 19 22 ATOM 22 C LIG 1 -3.624 0.568 0.810 0.00 0.00 +0.191 A ATOM 23 C LIG 1 -3.552 -0.765 0.382 0.00 0.00 +0.150 A ATOM 24 C LIG 1 -4.308 -1.759 1.013 0.00 0.00 +0.048 A ATOM 25 C LIG 1 -5.171 -1.424 2.052 0.00 0.00 +0.007 A ATOM 26 C LIG 1 -5.277 -0.096 2.460 0.00 0.00 +0.048 A ATOM 27 C LIG 1 -4.522 0.901 1.829 0.00 0.00 +0.150 A BRANCH 23 28 ATOM 28 O LIG 1 -2.681 -1.149 -0.606 0.00 0.00 -0.493 OA ATOM 29 C LIG 1 -3.384 -1.398 -1.828 0.00 0.00 +0.277 C ENDBRANCH 23 28 BRANCH 27 30 ATOM 30 O LIG 1 -4.675 2.171 2.311 0.00 0.00 -0.493 OA ATOM 31 C LIG 1 -5.687 2.872 1.584 0.00 0.00 +0.277 C ENDBRANCH 27 30 ENDBRANCH 19 22 ENDBRANCH 2 19 TORSDOF 8