REMARK Name = BDB032892 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.614 0.930 -0.011 0.00 0.00 +0.049 A ATOM 2 C LIG 1 -0.288 1.325 0.283 0.00 0.00 +0.058 A ATOM 3 C LIG 1 0.068 2.686 0.249 0.00 0.00 +0.015 A ATOM 4 C LIG 1 -0.870 3.650 -0.117 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -2.165 3.263 -0.443 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -2.536 1.916 -0.387 0.00 0.00 +0.024 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -3.167 -1.034 -0.185 0.00 0.00 +0.404 C ATOM 8 N LIG 1 -1.974 -0.431 0.089 0.00 0.00 -0.250 N ATOM 9 H LIG 1 -1.275 -1.065 0.476 0.00 0.00 +0.158 HD ATOM 10 O LIG 1 -4.183 -0.522 -0.630 0.00 0.00 -0.226 OA BRANCH 7 12 ATOM 11 C LIG 1 -4.238 -3.116 -0.122 0.00 0.00 +0.282 C ATOM 12 O LIG 1 -3.053 -2.356 0.116 0.00 0.00 -0.453 OA ENDBRANCH 7 12 ENDBRANCH 1 8 BRANCH 2 13 ATOM 13 C LIG 1 0.750 0.305 0.638 0.00 0.00 +0.251 C ATOM 14 N LIG 1 2.017 0.581 0.173 0.00 0.00 -0.261 N ATOM 15 H LIG 1 2.170 1.360 -0.452 0.00 0.00 +0.157 HD ATOM 16 O LIG 1 0.397 -0.695 1.252 0.00 0.00 -0.270 OA BRANCH 14 17 ATOM 17 C LIG 1 3.151 -0.166 0.370 0.00 0.00 +0.167 A ATOM 18 S LIG 1 3.200 -1.547 1.369 0.00 0.00 -0.030 S ATOM 19 C LIG 1 4.852 -1.729 1.013 0.00 0.00 +0.166 A ATOM 20 C LIG 1 5.267 -0.728 0.164 0.00 0.00 +0.152 A ATOM 21 N LIG 1 4.283 0.178 -0.201 0.00 0.00 -0.231 NA BRANCH 19 22 ATOM 22 N LIG 1 5.678 -2.815 1.559 0.00 0.00 -0.022 NA ATOM 23 O LIG 1 6.861 -2.796 1.202 0.00 0.00 -0.143 OA ENDBRANCH 19 22 ENDBRANCH 14 17 ENDBRANCH 2 13 TORSDOF 5