REMARK Name = BDB037146 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.266 -0.074 1.058 0.00 0.00 +0.263 C ATOM 2 N LIG 1 -1.062 0.991 1.497 0.00 0.00 -0.181 N ATOM 3 H LIG 1 -0.981 1.911 1.080 0.00 0.00 +0.177 HD ATOM 4 O LIG 1 -0.563 -1.249 1.207 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 2.741 -0.324 -1.214 0.00 0.00 +0.163 A ATOM 6 C LIG 1 3.319 0.943 -1.047 0.00 0.00 +0.172 A ATOM 7 C LIG 1 2.732 1.895 -0.206 0.00 0.00 +0.051 A ATOM 8 C LIG 1 1.572 1.578 0.501 0.00 0.00 +0.017 A ATOM 9 C LIG 1 0.987 0.314 0.350 0.00 0.00 +0.042 A ATOM 10 C LIG 1 1.576 -0.633 -0.506 0.00 0.00 +0.062 A BRANCH 5 12 ATOM 11 C LIG 1 2.900 -2.503 -2.171 0.00 0.00 +0.277 C ATOM 12 O LIG 1 3.381 -1.168 -2.083 0.00 0.00 -0.491 OA ENDBRANCH 5 12 BRANCH 6 13 ATOM 13 O LIG 1 4.441 1.256 -1.780 0.00 0.00 -0.429 OA BRANCH 13 14 ATOM 14 C LIG 1 5.583 1.569 -1.163 0.00 0.00 +0.262 A ATOM 15 S LIG 1 6.982 1.952 -2.082 0.00 0.00 -0.037 S ATOM 16 C LIG 1 7.862 2.182 -0.630 0.00 0.00 +0.070 A ATOM 17 C LIG 1 7.037 1.956 0.450 0.00 0.00 +0.122 A ATOM 18 N LIG 1 5.736 1.611 0.145 0.00 0.00 -0.214 NA ENDBRANCH 13 14 ENDBRANCH 6 13 ENDBRANCH 1 9 BRANCH 2 19 ATOM 19 S LIG 1 -2.543 0.802 2.248 0.00 0.00 +0.082 S ATOM 20 O LIG 1 -2.280 0.141 3.508 0.00 0.00 -0.150 OA ATOM 21 O LIG 1 -3.156 2.117 2.224 0.00 0.00 -0.150 OA BRANCH 19 22 ATOM 22 C LIG 1 -3.471 -0.225 1.149 0.00 0.00 +0.191 A ATOM 23 C LIG 1 -3.548 0.124 -0.208 0.00 0.00 +0.150 A ATOM 24 C LIG 1 -4.240 -0.691 -1.111 0.00 0.00 +0.048 A ATOM 25 C LIG 1 -4.906 -1.826 -0.655 0.00 0.00 +0.007 A ATOM 26 C LIG 1 -4.870 -2.153 0.699 0.00 0.00 +0.048 A ATOM 27 C LIG 1 -4.140 -1.366 1.599 0.00 0.00 +0.150 A BRANCH 23 28 ATOM 28 O LIG 1 -2.895 1.233 -0.687 0.00 0.00 -0.493 OA ATOM 29 C LIG 1 -3.829 2.239 -1.095 0.00 0.00 +0.277 C ENDBRANCH 23 28 BRANCH 27 30 ATOM 30 O LIG 1 -4.204 -1.698 2.923 0.00 0.00 -0.493 OA ATOM 31 C LIG 1 -3.334 -2.795 3.216 0.00 0.00 +0.277 C ENDBRANCH 27 30 ENDBRANCH 19 22 ENDBRANCH 2 19 TORSDOF 8