REMARK Name = BDB063156 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.450 -0.324 -0.748 0.00 0.00 +0.122 A ATOM 2 C LIG 1 -3.106 -0.033 -1.008 0.00 0.00 +0.074 A ATOM 3 C LIG 1 -2.113 -0.342 -0.057 0.00 0.00 +0.082 A ATOM 4 C LIG 1 -2.496 -0.941 1.140 0.00 0.00 +0.040 A ATOM 5 S LIG 1 -1.099 -1.205 2.104 0.00 0.00 -0.067 S ATOM 6 C LIG 1 -0.101 -0.516 0.881 0.00 0.00 +0.111 A ATOM 7 C LIG 1 -3.838 -1.241 1.420 0.00 0.00 +0.021 A ATOM 8 N LIG 1 -0.754 -0.108 -0.190 0.00 0.00 -0.239 NA ATOM 9 C LIG 1 -4.807 -0.923 0.458 0.00 0.00 +0.047 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 1.359 -0.398 1.031 0.00 0.00 +0.027 A ATOM 11 C LIG 1 2.116 0.177 -0.003 0.00 0.00 +0.037 A ATOM 12 C LIG 1 3.505 0.308 0.099 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.100 -0.156 1.267 0.00 0.00 +0.134 A ATOM 14 N LIG 1 3.413 -0.718 2.292 0.00 0.00 -0.261 NA ATOM 15 C LIG 1 2.069 -0.824 2.150 0.00 0.00 +0.121 A BRANCH 12 16 ATOM 16 N LIG 1 4.188 0.896 -0.987 0.00 0.00 -0.284 N ATOM 17 H LIG 1 3.616 1.185 -1.771 0.00 0.00 +0.155 HD ATOM 18 C LIG 1 5.548 1.123 -1.081 0.00 0.00 +0.214 C ATOM 19 O LIG 1 6.388 0.869 -0.225 0.00 0.00 -0.276 OA ATOM 20 C LIG 1 5.939 1.777 -2.382 0.00 0.00 +0.109 C ENDBRANCH 12 16 ENDBRANCH 6 10 BRANCH 1 22 ATOM 21 C LIG 1 -6.690 -0.242 -1.550 0.00 0.00 +0.277 C ATOM 22 O LIG 1 -5.309 0.028 -1.754 0.00 0.00 -0.495 OA ENDBRANCH 1 22 TORSDOF 3