REMARK Name = BDB040733 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.262 -0.434 -1.508 0.00 0.00 +0.000 C ATOM 2 C LIG 1 2.642 -0.556 -2.185 0.00 0.00 +0.000 C ATOM 3 N LIG 1 3.205 -0.010 -0.982 0.00 0.00 +0.000 N ATOM 4 C LIG 1 2.061 -0.377 -0.191 0.00 0.00 +0.000 C ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 4.557 -0.004 -0.592 0.00 0.00 +0.000 A ATOM 6 C LIG 1 5.580 -0.085 -1.541 0.00 0.00 +0.000 A ATOM 7 C LIG 1 6.918 -0.067 -1.147 0.00 0.00 +0.000 A ATOM 8 F LIG 1 7.865 -0.156 -2.092 0.00 0.00 +0.000 F ATOM 9 C LIG 1 7.288 0.034 0.194 0.00 0.00 +0.000 A ATOM 10 C LIG 1 6.262 0.127 1.132 0.00 0.00 +0.000 A ATOM 11 F LIG 1 6.559 0.225 2.438 0.00 0.00 +0.000 F ATOM 12 C LIG 1 4.919 0.113 0.754 0.00 0.00 +0.000 A BRANCH 9 13 ATOM 13 C LIG 1 8.738 0.057 0.625 0.00 0.00 +0.000 C ATOM 14 C LIG 1 9.513 1.213 -0.004 0.00 0.00 +0.000 C ATOM 15 O LIG 1 9.013 2.309 -0.249 0.00 0.00 +0.000 OA ATOM 16 N LIG 1 10.854 1.003 -0.222 0.00 0.00 +0.000 N ATOM 17 H LIG 1 11.362 1.780 -0.623 0.00 0.00 +0.000 HD ATOM 18 C LIG 1 11.606 -0.094 0.113 0.00 0.00 +0.000 C ATOM 19 O LIG 1 12.819 -0.113 -0.071 0.00 0.00 +0.000 OA ATOM 20 C LIG 1 10.874 -1.230 0.783 0.00 0.00 +0.000 C ATOM 21 C LIG 1 9.424 -1.282 0.331 0.00 0.00 +0.000 C ENDBRANCH 9 13 ENDBRANCH 3 5 BRANCH 1 23 ATOM 22 C LIG 1 -0.725 1.116 -1.375 0.00 0.00 +0.000 C ATOM 23 N LIG 1 0.520 0.803 -1.836 0.00 0.00 +0.000 N ATOM 24 H LIG 1 0.983 1.580 -2.292 0.00 0.00 +0.000 HD ATOM 25 O LIG 1 -1.255 2.192 -1.611 0.00 0.00 +0.000 OA BRANCH 22 26 ATOM 26 O LIG 1 -1.278 0.112 -0.647 0.00 0.00 +0.000 OA BRANCH 26 29 ATOM 27 C LIG 1 -4.611 -0.388 -0.095 0.00 0.00 +0.000 C ATOM 28 C LIG 1 -3.281 -0.797 0.579 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -2.601 0.387 -0.143 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -3.759 0.334 -1.165 0.00 0.00 +0.000 C BRANCH 27 31 ATOM 31 O LIG 1 -5.466 0.440 0.724 0.00 0.00 +0.000 OA BRANCH 31 32 ATOM 32 SI LIG 1 -7.018 0.815 0.210 0.00 0.00 +0.000 Si ATOM 33 C LIG 1 -7.499 2.555 0.737 0.00 0.00 +0.000 C ATOM 34 C LIG 1 -7.270 0.629 -1.640 0.00 0.00 +0.000 C BRANCH 32 36 ATOM 35 C LIG 1 -9.784 -0.144 0.722 0.00 0.00 +0.000 C ATOM 36 C LIG 1 -8.344 -0.491 1.147 0.00 0.00 +0.000 C ATOM 37 C LIG 1 -8.000 -1.935 0.727 0.00 0.00 +0.000 C ATOM 38 C LIG 1 -8.188 -0.337 2.673 0.00 0.00 +0.000 C ENDBRANCH 32 36 ENDBRANCH 31 32 ENDBRANCH 27 31 ENDBRANCH 26 29 ENDBRANCH 22 26 ENDBRANCH 1 23 TORSDOF 8