REMARK Name = BDB059879 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.097 -0.095 -0.029 0.00 0.00 +0.072 C ATOM 2 C LIG 1 1.529 1.107 -0.879 0.00 0.00 +0.044 C ATOM 3 C LIG 1 0.511 2.261 -0.856 0.00 0.00 +0.074 C ATOM 4 C LIG 1 -0.609 2.101 0.183 0.00 0.00 +0.022 C ATOM 5 C LIG 1 -0.032 1.617 1.508 0.00 0.00 +0.004 C ATOM 6 C LIG 1 0.605 0.233 1.388 0.00 0.00 +0.022 C ENDROOT BRANCH 1 7 ATOM 7 N LIG 1 2.091 -1.171 -0.041 0.00 0.00 -0.341 N ATOM 8 H LIG 1 1.674 -2.093 -0.139 0.00 0.00 +0.146 HD BRANCH 7 12 ATOM 9 C LIG 1 6.067 -1.308 1.399 0.00 0.00 +0.034 A ATOM 10 C LIG 1 5.462 -2.409 0.790 0.00 0.00 +0.025 A ATOM 11 C LIG 1 4.138 -2.338 0.335 0.00 0.00 +0.025 A ATOM 12 C LIG 1 3.360 -1.185 0.502 0.00 0.00 +0.027 A ATOM 13 C LIG 1 3.977 -0.099 1.125 0.00 0.00 +0.025 A ATOM 14 C LIG 1 5.304 -0.161 1.583 0.00 0.00 +0.025 A BRANCH 9 16 ATOM 15 C LIG 1 8.349 -0.590 2.257 0.00 0.00 +0.241 C ATOM 16 N LIG 1 7.400 -1.465 1.820 0.00 0.00 -0.282 N ATOM 17 H LIG 1 7.739 -2.418 1.875 0.00 0.00 +0.155 HD ATOM 18 O LIG 1 9.365 -1.011 2.810 0.00 0.00 -0.271 OA BRANCH 15 20 ATOM 19 C LIG 1 8.092 1.373 0.796 0.00 0.00 +0.013 C ATOM 20 C LIG 1 8.227 0.865 2.028 0.00 0.00 +0.060 C ENDBRANCH 15 20 ENDBRANCH 9 16 ENDBRANCH 7 12 ENDBRANCH 1 7 BRANCH 3 21 ATOM 21 N LIG 1 0.004 2.627 -2.188 0.00 0.00 -0.321 N ATOM 22 H LIG 1 -0.268 3.611 -2.183 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -1.000 1.915 -2.768 0.00 0.00 +0.159 A ATOM 24 S LIG 1 -0.889 0.257 -3.211 0.00 0.00 -0.046 S ATOM 25 C LIG 1 -2.526 0.271 -3.694 0.00 0.00 +0.067 A ATOM 26 C LIG 1 -3.016 1.556 -3.596 0.00 0.00 +0.135 A ATOM 27 N LIG 1 -2.144 2.491 -3.072 0.00 0.00 -0.232 NA BRANCH 25 28 ATOM 28 S LIG 1 -3.412 -1.138 -4.240 0.00 0.00 -0.107 S BRANCH 28 29 ATOM 29 C LIG 1 -3.146 -2.306 -2.863 0.00 0.00 +0.170 C BRANCH 29 30 ATOM 30 C LIG 1 -3.444 -1.734 -1.522 0.00 0.00 +0.206 A ATOM 31 O LIG 1 -4.712 -1.258 -1.315 0.00 0.00 -0.443 OA ATOM 32 C LIG 1 -4.687 -0.759 -0.038 0.00 0.00 +0.131 A ATOM 33 C LIG 1 -3.421 -0.983 0.460 0.00 0.00 +0.156 A ATOM 34 N LIG 1 -2.638 -1.597 -0.483 0.00 0.00 -0.221 NA BRANCH 32 35 ATOM 35 C LIG 1 -5.945 -0.116 0.473 0.00 0.00 +0.022 C ATOM 36 C LIG 1 -7.133 -1.081 0.309 0.00 0.00 +0.019 C ATOM 37 C LIG 1 -5.811 0.246 1.965 0.00 0.00 +0.019 C ATOM 38 C LIG 1 -6.220 1.173 -0.325 0.00 0.00 +0.019 C ENDBRANCH 32 35 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 23 ENDBRANCH 3 21 TORSDOF 10