REMARK Name = BDB062907 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.919 0.322 0.403 0.00 0.00 +0.086 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -0.541 0.404 0.522 0.00 0.00 -0.298 NA ATOM 3 C LIG 1 -1.141 -0.730 1.248 0.00 0.00 +0.112 C ATOM 4 C LIG 1 -2.657 -0.533 1.412 0.00 0.00 +0.175 C ATOM 5 O LIG 1 -3.301 -0.377 0.139 0.00 0.00 -0.377 OA ATOM 6 C LIG 1 -2.747 0.749 -0.556 0.00 0.00 +0.175 C ATOM 7 C LIG 1 -1.232 0.582 -0.767 0.00 0.00 +0.112 C ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 1.491 -0.839 -0.423 0.00 0.00 +0.030 C BRANCH 8 9 ATOM 9 C LIG 1 3.023 -0.877 -0.416 0.00 0.00 +0.079 C BRANCH 9 10 ATOM 10 N LIG 1 3.639 0.237 -1.127 0.00 0.00 -0.330 NA ATOM 11 H LIG 1 3.261 0.297 -2.072 0.00 0.00 +0.118 HD ATOM 12 H LIG 1 3.414 1.120 -0.671 0.00 0.00 +0.118 HD ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 1 8 TORSDOF 4