REMARK Name = BDB060526 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.464 -0.492 0.228 0.00 0.00 +0.101 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.792 -0.644 1.103 0.00 0.00 -0.034 A ATOM 3 C LIG 1 2.097 -0.484 0.608 0.00 0.00 +0.007 A ATOM 4 C LIG 1 3.203 -0.619 1.452 0.00 0.00 +0.038 A ATOM 5 C LIG 1 3.012 -0.908 2.796 0.00 0.00 +0.123 A ATOM 6 F LIG 1 4.074 -1.034 3.603 0.00 0.00 -0.205 F ATOM 7 C LIG 1 1.735 -1.065 3.317 0.00 0.00 +0.038 A ATOM 8 C LIG 1 0.629 -0.932 2.475 0.00 0.00 +0.007 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 9 C LIG 1 0.181 0.045 -2.228 0.00 0.00 +0.121 A ATOM 10 C LIG 1 -0.294 -0.845 -1.255 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -0.626 -2.150 -1.675 0.00 0.00 +0.008 A ATOM 12 C LIG 1 -0.505 -2.537 -3.011 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -0.044 -1.629 -3.958 0.00 0.00 +0.004 A ATOM 14 C LIG 1 0.302 -0.338 -3.568 0.00 0.00 +0.046 A BRANCH 9 15 ATOM 15 O LIG 1 0.569 1.304 -1.868 0.00 0.00 -0.506 OA ATOM 16 H LIG 1 0.668 1.840 -2.672 0.00 0.00 +0.292 HD ENDBRANCH 9 15 ENDBRANCH 1 10 BRANCH 1 17 ATOM 17 C LIG 1 -1.283 0.777 0.500 0.00 0.00 +0.053 A ATOM 18 N LIG 1 -2.639 0.636 0.507 0.00 0.00 -0.259 NA ATOM 19 C LIG 1 -3.385 1.734 0.756 0.00 0.00 +0.111 A ATOM 20 C LIG 1 -2.855 2.985 1.013 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -1.474 3.122 1.012 0.00 0.00 +0.003 A ATOM 22 C LIG 1 -0.677 2.009 0.754 0.00 0.00 +0.024 A ENDBRANCH 1 17 TORSDOF 4