REMARK Name = BDB034480 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.385 -0.271 0.837 0.00 0.00 +0.146 A ATOM 2 C LIG 1 -0.536 0.540 0.061 0.00 0.00 +0.120 A ATOM 3 C LIG 1 0.702 0.010 -0.372 0.00 0.00 +0.087 A ATOM 4 C LIG 1 1.506 0.880 -1.150 0.00 0.00 +0.131 A ATOM 5 C LIG 1 1.106 2.168 -1.467 0.00 0.00 +0.069 A ATOM 6 C LIG 1 -0.118 2.594 -0.999 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -0.610 3.975 -1.306 0.00 0.00 +0.066 C ATOM 8 C LIG 1 1.059 -1.325 -0.014 0.00 0.00 +0.133 A ATOM 9 C LIG 1 0.195 -2.101 0.757 0.00 0.00 +0.050 A ATOM 10 N LIG 1 -0.919 1.801 -0.254 0.00 0.00 -0.248 NA ATOM 11 C LIG 1 -1.021 -1.577 1.180 0.00 0.00 +0.051 A ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 -3.474 -0.459 2.009 0.00 0.00 +0.277 C ATOM 13 O LIG 1 -2.575 0.309 1.224 0.00 0.00 -0.493 OA ENDBRANCH 1 13 BRANCH 4 14 ATOM 14 O LIG 1 2.734 0.514 -1.644 0.00 0.00 -0.506 OA ATOM 15 H LIG 1 2.893 -0.405 -1.352 0.00 0.00 +0.292 HD ENDBRANCH 4 14 BRANCH 8 16 ATOM 16 O LIG 1 2.280 -1.772 -0.471 0.00 0.00 -0.494 OA ATOM 17 C LIG 1 2.668 -3.100 -0.132 0.00 0.00 +0.277 C ENDBRANCH 8 16 TORSDOF 3