REMARK Name = BDB001757 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.262 -0.237 -0.060 0.00 0.00 +0.136 A ATOM 2 C LIG 1 0.512 0.388 0.930 0.00 0.00 +0.093 A ATOM 3 C LIG 1 -0.875 0.348 0.828 0.00 0.00 +0.143 A ATOM 4 C LIG 1 -1.522 -0.306 -0.229 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -2.970 -0.282 -0.242 0.00 0.00 -0.027 A ATOM 6 C LIG 1 -3.878 -0.891 -1.253 0.00 0.00 +0.036 C ATOM 7 C LIG 1 -5.230 -0.256 -0.901 0.00 0.00 +0.010 C ATOM 8 C LIG 1 -5.119 0.240 0.545 0.00 0.00 +0.043 C ATOM 9 C LIG 1 -3.648 0.332 0.730 0.00 0.00 +0.041 A ATOM 10 C LIG 1 -3.006 1.016 1.855 0.00 0.00 +0.341 A ATOM 11 O LIG 1 -3.652 1.563 2.739 0.00 0.00 -0.245 OA ATOM 12 C LIG 1 -0.748 -0.946 -1.200 0.00 0.00 +0.015 A ATOM 13 O LIG 1 -1.612 0.996 1.849 0.00 0.00 -0.422 OA ATOM 14 C LIG 1 0.648 -0.920 -1.113 0.00 0.00 +0.047 A ENDROOT BRANCH 1 15 ATOM 15 O LIG 1 2.655 -0.235 0.076 0.00 0.00 -0.420 OA BRANCH 15 17 ATOM 16 O LIG 1 2.835 1.073 -1.843 0.00 0.00 -0.241 OA ATOM 17 C LIG 1 3.349 0.471 -0.907 0.00 0.00 +0.380 C BRANCH 17 18 ATOM 18 C LIG 1 4.767 0.372 -0.639 0.00 0.00 +0.212 A ATOM 19 O LIG 1 5.638 0.991 -1.499 0.00 0.00 -0.456 OA ATOM 20 C LIG 1 6.895 0.760 -1.044 0.00 0.00 +0.196 A ATOM 21 C LIG 1 6.861 -0.001 0.099 0.00 0.00 +0.042 A ATOM 22 C LIG 1 5.492 -0.253 0.363 0.00 0.00 +0.056 A ENDBRANCH 17 18 ENDBRANCH 15 17 ENDBRANCH 1 15 TORSDOF 3