REMARK Name = BDB027177 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.502 0.763 0.214 0.00 0.00 -0.015 A ATOM 2 C LIG 1 1.842 1.101 -0.979 0.00 0.00 +0.010 A ATOM 3 C LIG 1 0.493 1.469 -0.972 0.00 0.00 +0.029 A ATOM 4 C LIG 1 -0.205 1.495 0.236 0.00 0.00 +0.105 A ATOM 5 C LIG 1 0.436 1.177 1.435 0.00 0.00 +0.029 A ATOM 6 C LIG 1 1.785 0.810 1.420 0.00 0.00 +0.010 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.876 -1.312 1.331 0.00 0.00 +0.172 C ATOM 8 N LIG 1 5.830 -0.548 0.697 0.00 0.00 -0.274 N ATOM 9 N LIG 1 6.107 0.160 -0.411 0.00 0.00 -0.179 NA ATOM 10 C LIG 1 4.939 0.729 -0.718 0.00 0.00 +0.142 A ATOM 11 C LIG 1 3.906 0.386 0.187 0.00 0.00 +0.020 A ATOM 12 C LIG 1 4.527 -0.450 1.093 0.00 0.00 +0.116 A ENDBRANCH 1 11 BRANCH 4 13 ATOM 13 S LIG 1 -1.913 1.971 0.266 0.00 0.00 +0.059 S ATOM 14 O LIG 1 -2.294 2.447 -1.045 0.00 0.00 -0.153 OA ATOM 15 O LIG 1 -2.134 2.751 1.462 0.00 0.00 -0.153 OA BRANCH 13 16 ATOM 16 N LIG 1 -2.672 0.491 0.520 0.00 0.00 -0.185 NA ATOM 17 H LIG 1 -3.380 0.560 1.255 0.00 0.00 +0.148 HD BRANCH 16 18 ATOM 18 C LIG 1 -3.016 -0.322 -0.668 0.00 0.00 +0.096 C ATOM 19 C LIG 1 -4.415 0.027 -1.192 0.00 0.00 +0.136 C ATOM 20 N LIG 1 -5.344 -0.733 -0.301 0.00 0.00 -0.268 N ATOM 21 C LIG 1 -4.582 -1.832 0.352 0.00 0.00 +0.118 C ATOM 22 C LIG 1 -3.184 -1.775 -0.251 0.00 0.00 +0.041 C BRANCH 20 23 ATOM 23 C LIG 1 -6.677 -0.712 -0.421 0.00 0.00 +0.169 C ATOM 24 N LIG 1 -7.829 -0.706 -0.529 0.00 0.00 -0.174 NA ENDBRANCH 20 23 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 4 13 TORSDOF 5