REMARK Name = BDB007910 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.578 -1.546 -2.097 0.00 0.00 -0.036 A ATOM 2 C LIG 1 -1.666 -0.778 -1.653 0.00 0.00 +0.019 A ATOM 3 C LIG 1 -2.960 -1.308 -1.638 0.00 0.00 +0.008 A ATOM 4 C LIG 1 -3.173 -2.609 -2.101 0.00 0.00 +0.015 A ATOM 5 C LIG 1 -2.101 -3.381 -2.548 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.808 -2.855 -2.541 0.00 0.00 +0.004 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 0.818 -0.969 -2.081 0.00 0.00 +0.155 C BRANCH 7 8 ATOM 8 C LIG 1 1.434 -0.879 -0.699 0.00 0.00 +0.312 C ATOM 9 O LIG 1 0.861 -1.081 0.362 0.00 0.00 -0.250 OA BRANCH 8 10 ATOM 10 O LIG 1 2.743 -0.510 -0.816 0.00 0.00 -0.457 OA BRANCH 10 12 ATOM 11 C LIG 1 4.005 -1.725 0.864 0.00 0.00 +0.057 C ATOM 12 C LIG 1 3.467 -0.366 0.422 0.00 0.00 +0.203 C BRANCH 12 13 ATOM 13 C LIG 1 4.603 0.619 0.197 0.00 0.00 -0.008 A ATOM 14 C LIG 1 4.878 1.602 1.159 0.00 0.00 +0.008 A ATOM 15 C LIG 1 5.930 2.504 0.976 0.00 0.00 +0.013 A ATOM 16 C LIG 1 6.736 2.439 -0.171 0.00 0.00 +0.055 A ATOM 17 C LIG 1 6.462 1.456 -1.133 0.00 0.00 +0.013 A ATOM 18 C LIG 1 5.411 0.554 -0.948 0.00 0.00 +0.008 A BRANCH 16 19 ATOM 19 C LIG 1 7.857 3.430 -0.369 0.00 0.00 +0.417 C ATOM 20 F LIG 1 7.405 4.658 -0.752 0.00 0.00 -0.166 F ATOM 21 F LIG 1 8.757 3.049 -1.320 0.00 0.00 -0.166 F ATOM 22 F LIG 1 8.582 3.637 0.767 0.00 0.00 -0.166 F ENDBRANCH 16 19 ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 8 10 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 3 23 ATOM 23 S LIG 1 -4.345 -0.346 -1.062 0.00 0.00 -0.120 S BRANCH 23 24 ATOM 24 C LIG 1 -3.851 -0.131 0.683 0.00 0.00 +0.110 C BRANCH 24 25 ATOM 25 C LIG 1 -4.938 0.547 1.484 0.00 0.00 -0.023 A ATOM 26 C LIG 1 -6.136 -0.089 1.879 0.00 0.00 +0.063 A ATOM 27 C LIG 1 -7.135 0.642 2.546 0.00 0.00 +0.015 A ATOM 28 C LIG 1 -6.949 1.991 2.848 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -5.767 2.624 2.479 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -4.774 1.912 1.802 0.00 0.00 +0.005 A BRANCH 26 31 ATOM 31 C LIG 1 -6.461 -1.512 1.610 0.00 0.00 +0.337 C ATOM 32 O LIG 1 -7.570 -1.955 1.367 0.00 0.00 -0.245 OA BRANCH 31 33 ATOM 33 O LIG 1 -5.408 -2.330 1.776 0.00 0.00 -0.477 OA ATOM 34 H LIG 1 -5.781 -3.224 1.622 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 26 31 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 11