REMARK Name = BDB058496 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.437 -1.263 -0.484 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.193 -0.231 -1.380 0.00 0.00 +0.027 A ATOM 3 S LIG 1 1.429 -0.261 -1.946 0.00 0.00 -0.091 S ATOM 4 C LIG 1 1.824 -1.625 -0.996 0.00 0.00 +0.005 A ATOM 5 C LIG 1 0.731 -2.069 -0.281 0.00 0.00 +0.021 A ENDROOT BRANCH 1 9 ATOM 6 C LIG 1 -4.227 -1.930 1.391 0.00 0.00 -0.015 A ATOM 7 C LIG 1 -3.625 -2.929 0.614 0.00 0.00 +0.009 A ATOM 8 C LIG 1 -2.386 -2.707 0.002 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -1.732 -1.480 0.152 0.00 0.00 -0.017 A ATOM 10 C LIG 1 -2.323 -0.483 0.936 0.00 0.00 +0.009 A ATOM 11 C LIG 1 -3.562 -0.707 1.548 0.00 0.00 +0.009 A BRANCH 6 15 ATOM 12 C LIG 1 -7.288 -2.145 3.406 0.00 0.00 +0.195 A ATOM 13 O LIG 1 -7.601 -2.937 2.350 0.00 0.00 -0.470 OA ATOM 14 C LIG 1 -6.523 -2.933 1.523 0.00 0.00 +0.203 A ATOM 15 C LIG 1 -5.510 -2.149 2.038 0.00 0.00 +0.020 A ATOM 16 C LIG 1 -6.021 -1.632 3.262 0.00 0.00 +0.049 A ENDBRANCH 6 15 ENDBRANCH 1 9 BRANCH 2 17 ATOM 17 C LIG 1 -1.093 0.804 -1.907 0.00 0.00 -0.011 A ATOM 18 C LIG 1 -0.850 2.160 -1.658 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -1.725 3.141 -2.141 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -2.859 2.783 -2.881 0.00 0.00 -0.015 A ATOM 21 C LIG 1 -3.097 1.426 -3.134 0.00 0.00 +0.009 A ATOM 22 C LIG 1 -2.224 0.446 -2.648 0.00 0.00 +0.009 A BRANCH 20 23 ATOM 23 C LIG 1 -3.776 3.790 -3.391 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -4.071 4.976 -2.749 0.00 0.00 +0.203 A ATOM 25 O LIG 1 -4.971 5.702 -3.462 0.00 0.00 -0.470 OA ATOM 26 C LIG 1 -5.267 4.980 -4.572 0.00 0.00 +0.195 A ATOM 27 C LIG 1 -4.566 3.797 -4.576 0.00 0.00 +0.049 A ENDBRANCH 20 23 ENDBRANCH 2 17 BRANCH 4 28 ATOM 28 C LIG 1 3.212 -2.197 -1.025 0.00 0.00 +0.123 C BRANCH 28 29 ATOM 29 N LIG 1 3.926 -2.013 0.242 0.00 0.00 -0.311 NA ATOM 30 H LIG 1 3.326 -2.304 1.012 0.00 0.00 +0.122 HD BRANCH 29 31 ATOM 31 C LIG 1 4.359 -0.630 0.448 0.00 0.00 +0.084 C BRANCH 31 32 ATOM 32 C LIG 1 5.163 -0.487 1.756 0.00 0.00 +0.005 C ATOM 33 C LIG 1 6.472 -1.302 1.755 0.00 0.00 +0.020 C ATOM 34 C LIG 1 7.656 -0.465 1.281 0.00 0.00 +0.081 C ATOM 35 N LIG 1 7.900 0.723 2.102 0.00 0.00 -0.316 NA ATOM 36 H LIG 1 8.649 0.538 2.769 0.00 0.00 +0.122 HD ATOM 37 C LIG 1 6.723 1.202 2.826 0.00 0.00 +0.081 C ATOM 38 C LIG 1 5.439 1.005 2.029 0.00 0.00 +0.020 C ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 4 28 TORSDOF 8