REMARK Name = BDB000715 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.403 -0.797 0.025 0.00 0.00 +0.008 C ATOM 2 C LIG 1 1.232 0.231 0.268 0.00 0.00 +0.008 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 2.692 0.158 0.120 0.00 0.00 -0.022 A ATOM 4 C LIG 1 3.378 1.277 -0.369 0.00 0.00 +0.028 A ATOM 5 C LIG 1 4.768 1.250 -0.498 0.00 0.00 +0.043 A ATOM 6 CL LIG 1 5.593 2.631 -1.111 0.00 0.00 -0.083 Cl ATOM 7 C LIG 1 5.494 0.120 -0.134 0.00 0.00 +0.040 A ATOM 8 C LIG 1 4.816 -0.986 0.367 0.00 0.00 +0.043 A ATOM 9 CL LIG 1 5.702 -2.387 0.835 0.00 0.00 -0.083 Cl ATOM 10 C LIG 1 3.426 -0.973 0.501 0.00 0.00 +0.028 A ENDBRANCH 2 3 BRANCH 1 13 ATOM 11 C LIG 1 -3.185 0.447 -0.082 0.00 0.00 +0.121 A ATOM 12 C LIG 1 -1.792 0.411 -0.209 0.00 0.00 +0.053 A ATOM 13 C LIG 1 -1.058 -0.720 0.173 0.00 0.00 -0.022 A ATOM 14 C LIG 1 -1.747 -1.835 0.663 0.00 0.00 +0.008 A ATOM 15 C LIG 1 -3.137 -1.806 0.793 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -3.855 -0.666 0.424 0.00 0.00 +0.045 A BRANCH 11 18 ATOM 17 C LIG 1 -5.180 1.705 -0.385 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -3.764 1.618 -0.489 0.00 0.00 -0.495 OA ENDBRANCH 11 18 ENDBRANCH 1 13 TORSDOF 3