REMARK Name = BDB036592 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.909 -1.344 -1.314 0.00 0.00 +0.142 A ATOM 2 C LIG 1 2.613 -0.558 -0.364 0.00 0.00 +0.078 A ATOM 3 C LIG 1 2.565 0.840 -0.450 0.00 0.00 +0.076 A ATOM 4 C LIG 1 1.801 1.386 -1.480 0.00 0.00 +0.171 A ATOM 5 C LIG 1 1.088 0.657 -2.416 0.00 0.00 +0.068 A ATOM 6 C LIG 1 0.467 1.659 -3.212 0.00 0.00 +0.188 A ATOM 7 N LIG 1 0.820 2.887 -2.814 0.00 0.00 -0.061 NA ATOM 8 O LIG 1 1.638 2.712 -1.717 0.00 0.00 -0.353 OA ATOM 9 C LIG 1 1.155 -0.748 -2.340 0.00 0.00 +0.062 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 1.403 -3.548 -2.098 0.00 0.00 +0.277 C ATOM 11 O LIG 1 2.021 -2.707 -1.129 0.00 0.00 -0.493 OA ENDBRANCH 1 11 BRANCH 2 12 ATOM 12 N LIG 1 3.379 -1.237 0.620 0.00 0.00 -0.297 N ATOM 13 H LIG 1 3.033 -2.191 0.741 0.00 0.00 +0.154 HD BRANCH 12 14 ATOM 14 C LIG 1 4.399 -0.799 1.390 0.00 0.00 +0.119 A ATOM 15 N LIG 1 5.251 0.214 1.036 0.00 0.00 -0.264 N ATOM 16 H LIG 1 5.251 0.748 0.176 0.00 0.00 +0.190 HD ATOM 17 N LIG 1 6.210 0.466 1.947 0.00 0.00 -0.177 NA ATOM 18 C LIG 1 5.983 -0.455 2.885 0.00 0.00 +0.068 A ATOM 19 C LIG 1 4.887 -1.284 2.582 0.00 0.00 +0.068 A BRANCH 18 20 ATOM 20 C LIG 1 6.857 -0.606 4.157 0.00 0.00 +0.040 C ATOM 21 C LIG 1 6.267 -0.240 5.495 0.00 0.00 +0.010 C ATOM 22 C LIG 1 7.331 0.625 4.885 0.00 0.00 +0.010 C ENDBRANCH 18 20 ENDBRANCH 12 14 ENDBRANCH 2 12 BRANCH 6 23 ATOM 23 N LIG 1 -0.410 1.562 -4.287 0.00 0.00 -0.196 N ATOM 24 H LIG 1 -0.759 2.462 -4.613 0.00 0.00 +0.175 HD BRANCH 23 25 ATOM 25 S LIG 1 -1.577 0.372 -4.466 0.00 0.00 +0.081 S ATOM 26 O LIG 1 -0.879 -0.847 -4.817 0.00 0.00 -0.150 OA ATOM 27 O LIG 1 -2.585 0.903 -5.364 0.00 0.00 -0.150 OA BRANCH 25 28 ATOM 28 C LIG 1 -2.339 0.218 -2.868 0.00 0.00 +0.191 A ATOM 29 C LIG 1 -2.492 -1.033 -2.261 0.00 0.00 +0.151 A ATOM 30 C LIG 1 -2.997 -1.129 -0.961 0.00 0.00 +0.054 A ATOM 31 C LIG 1 -3.407 0.015 -0.269 0.00 0.00 -0.011 A ATOM 32 C LIG 1 -3.298 1.263 -0.906 0.00 0.00 +0.054 A ATOM 33 C LIG 1 -2.776 1.378 -2.201 0.00 0.00 +0.151 A BRANCH 31 34 ATOM 34 C LIG 1 -3.918 -0.107 1.155 0.00 0.00 +0.162 C ATOM 35 O LIG 1 -4.924 0.898 1.386 0.00 0.00 -0.369 OA ATOM 36 C LIG 1 -5.428 0.797 2.725 0.00 0.00 +0.176 C ATOM 37 C LIG 1 -4.306 0.972 3.760 0.00 0.00 +0.112 C ATOM 38 N LIG 1 -3.245 -0.036 3.568 0.00 0.00 -0.300 NA ATOM 39 C LIG 1 -2.149 0.176 4.513 0.00 0.00 +0.105 C ATOM 40 C LIG 1 -2.756 0.042 2.173 0.00 0.00 +0.120 C ENDBRANCH 31 34 BRANCH 29 41 ATOM 41 O LIG 1 -2.106 -2.207 -2.845 0.00 0.00 -0.493 OA ATOM 42 C LIG 1 -3.182 -2.767 -3.603 0.00 0.00 +0.277 C ENDBRANCH 29 41 BRANCH 33 43 ATOM 43 O LIG 1 -2.652 2.570 -2.865 0.00 0.00 -0.493 OA ATOM 44 C LIG 1 -3.107 3.751 -2.213 0.00 0.00 +0.277 C ENDBRANCH 33 43 ENDBRANCH 25 28 ENDBRANCH 23 25 ENDBRANCH 6 23 TORSDOF 10