REMARK Name = BDB000709 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.952 1.625 -0.019 0.00 0.00 +0.124 A ATOM 2 C LIG 1 -3.691 0.459 -0.232 0.00 0.00 +0.091 A ATOM 3 C LIG 1 -3.067 -0.787 -0.310 0.00 0.00 +0.124 A ATOM 4 C LIG 1 -1.680 -0.865 -0.178 0.00 0.00 +0.053 A ATOM 5 C LIG 1 -0.920 0.298 0.021 0.00 0.00 -0.018 A ATOM 6 C LIG 1 -1.566 1.539 0.113 0.00 0.00 +0.053 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -2.993 3.990 0.239 0.00 0.00 +0.277 C ATOM 8 O LIG 1 -3.697 2.771 0.041 0.00 0.00 -0.495 OA ENDBRANCH 1 8 BRANCH 3 9 ATOM 9 O LIG 1 -3.916 -1.841 -0.510 0.00 0.00 -0.495 OA ATOM 10 C LIG 1 -3.333 -3.135 -0.591 0.00 0.00 +0.277 C ENDBRANCH 3 9 BRANCH 5 11 ATOM 11 C LIG 1 0.540 0.246 0.191 0.00 0.00 +0.009 C ATOM 12 C LIG 1 1.348 -0.487 -0.593 0.00 0.00 +0.008 C BRANCH 12 13 ATOM 13 C LIG 1 2.808 -0.549 -0.434 0.00 0.00 -0.025 A ATOM 14 C LIG 1 3.462 -1.766 -0.678 0.00 0.00 +0.011 A ATOM 15 C LIG 1 4.851 -1.859 -0.564 0.00 0.00 +0.039 A ATOM 16 C LIG 1 5.588 -0.733 -0.219 0.00 0.00 +0.123 A ATOM 17 F LIG 1 6.920 -0.823 -0.113 0.00 0.00 -0.205 F ATOM 18 C LIG 1 4.962 0.485 0.010 0.00 0.00 +0.039 A ATOM 19 C LIG 1 3.573 0.580 -0.102 0.00 0.00 +0.011 A ENDBRANCH 12 13 ENDBRANCH 5 11 TORSDOF 4