REMARK Name = BDB048574 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.263 -3.691 -0.349 0.00 0.00 +0.109 A ATOM 2 C LIG 1 0.404 -3.269 -1.364 0.00 0.00 +0.030 A ATOM 3 C LIG 1 -0.807 -2.657 -1.031 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -1.173 -2.474 0.310 0.00 0.00 +0.034 A ATOM 5 C LIG 1 -0.314 -2.922 1.316 0.00 0.00 +0.025 A ATOM 6 C LIG 1 0.902 -3.535 0.991 0.00 0.00 +0.030 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -2.408 -1.843 0.552 0.00 0.00 -0.284 N ATOM 8 H LIG 1 -2.937 -1.565 -0.275 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -2.970 -1.512 1.776 0.00 0.00 +0.237 C ATOM 10 O LIG 1 -2.489 -1.721 2.886 0.00 0.00 -0.274 OA BRANCH 9 11 ATOM 11 C LIG 1 -4.326 -0.818 1.632 0.00 0.00 +0.221 C BRANCH 11 12 ATOM 12 N LIG 1 -4.177 0.537 1.114 0.00 0.00 -0.296 N ATOM 13 C LIG 1 -3.961 1.655 1.970 0.00 0.00 +0.071 A ATOM 14 C LIG 1 -3.861 2.936 1.390 0.00 0.00 +0.088 A ATOM 15 C LIG 1 -3.654 4.053 2.207 0.00 0.00 +0.030 A ATOM 16 C LIG 1 -3.535 3.915 3.589 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -3.619 2.651 4.163 0.00 0.00 +0.002 A ATOM 18 N LIG 1 -3.959 3.163 0.008 0.00 0.00 -0.245 NA ATOM 19 C LIG 1 -4.096 2.136 -0.772 0.00 0.00 +0.103 A ATOM 20 C LIG 1 -4.197 2.326 -2.258 0.00 0.00 +0.071 C ATOM 21 C LIG 1 -3.828 1.526 3.361 0.00 0.00 +0.028 A ATOM 22 C LIG 1 -4.162 0.706 -0.263 0.00 0.00 +0.273 A ATOM 23 O LIG 1 -4.178 -0.220 -1.068 0.00 0.00 -0.266 OA ENDBRANCH 11 12 ENDBRANCH 9 11 ENDBRANCH 4 7 BRANCH 1 24 ATOM 24 S LIG 1 2.793 -4.489 -0.759 0.00 0.00 +0.076 S ATOM 25 O LIG 1 2.724 -4.989 -2.114 0.00 0.00 -0.150 OA ATOM 26 O LIG 1 3.123 -5.378 0.338 0.00 0.00 -0.150 OA BRANCH 24 30 ATOM 27 N LIG 1 4.941 -1.292 -1.177 0.00 0.00 -0.298 N ATOM 28 H LIG 1 5.563 -1.523 -0.420 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 3.910 -2.135 -1.474 0.00 0.00 +0.319 C ATOM 30 N LIG 1 3.905 -3.260 -0.670 0.00 0.00 -0.169 N ATOM 31 H LIG 1 4.580 -3.391 0.070 0.00 0.00 +0.178 HD ATOM 32 O LIG 1 3.074 -1.913 -2.333 0.00 0.00 -0.251 OA BRANCH 27 33 ATOM 33 C LIG 1 5.107 -0.019 -1.847 0.00 0.00 +0.106 C BRANCH 33 34 ATOM 34 C LIG 1 4.260 1.070 -1.191 0.00 0.00 +0.018 C BRANCH 34 36 ATOM 35 C LIG 1 5.718 3.048 -1.874 0.00 0.00 +0.004 C ATOM 36 C LIG 1 4.336 2.415 -1.915 0.00 0.00 -0.002 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 27 33 ENDBRANCH 24 30 ENDBRANCH 1 24 TORSDOF 8