REMARK Name = BDB057143 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.804 -1.551 0.246 0.00 0.00 +0.086 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.417 -0.178 0.002 0.00 0.00 -0.034 A ATOM 3 C LIG 1 -1.320 0.812 0.990 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.864 2.084 0.784 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -2.520 2.408 -0.412 0.00 0.00 -0.018 A ATOM 6 C LIG 1 -2.616 1.413 -1.397 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -2.075 0.140 -1.195 0.00 0.00 +0.005 A BRANCH 5 8 ATOM 8 C LIG 1 -3.086 3.750 -0.629 0.00 0.00 -0.018 A ATOM 9 C LIG 1 -2.748 4.501 -1.770 0.00 0.00 +0.011 A ATOM 10 C LIG 1 -3.283 5.775 -1.976 0.00 0.00 +0.039 A ATOM 11 C LIG 1 -4.161 6.308 -1.043 0.00 0.00 +0.123 A ATOM 12 F LIG 1 -4.675 7.529 -1.240 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -4.515 5.591 0.093 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -3.979 4.317 0.298 0.00 0.00 +0.011 A ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 15 ATOM 15 S LIG 1 0.560 -1.896 -0.955 0.00 0.00 -0.117 S BRANCH 15 21 ATOM 16 C LIG 1 3.031 2.752 -0.706 0.00 0.00 +0.047 C ATOM 17 C LIG 1 2.926 1.338 -0.206 0.00 0.00 -0.008 A ATOM 18 C LIG 1 3.787 0.857 0.795 0.00 0.00 +0.124 A ATOM 19 C LIG 1 3.676 -0.468 1.228 0.00 0.00 +0.047 A ATOM 20 C LIG 1 2.692 -1.304 0.693 0.00 0.00 +0.018 A ATOM 21 C LIG 1 1.816 -0.828 -0.283 0.00 0.00 +0.009 A ATOM 22 C LIG 1 1.945 0.486 -0.738 0.00 0.00 +0.021 A BRANCH 18 23 ATOM 23 O LIG 1 4.737 1.740 1.242 0.00 0.00 -0.481 OA BRANCH 23 24 ATOM 24 C LIG 1 5.276 1.520 2.546 0.00 0.00 +0.349 C BRANCH 24 25 ATOM 25 C LIG 1 6.579 0.738 2.496 0.00 0.00 +0.343 C ATOM 26 O LIG 1 7.135 0.273 3.481 0.00 0.00 -0.247 OA BRANCH 25 27 ATOM 27 O LIG 1 7.086 0.619 1.245 0.00 0.00 -0.478 OA ATOM 28 H LIG 1 6.486 1.041 0.591 0.00 0.00 +0.295 HD ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 18 23 ENDBRANCH 15 21 ENDBRANCH 1 15 BRANCH 1 29 ATOM 29 C LIG 1 -1.885 -2.662 0.204 0.00 0.00 +0.057 C BRANCH 29 30 ATOM 30 C LIG 1 -1.407 -4.048 0.601 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -1.454 -5.160 -0.275 0.00 0.00 +0.061 A ATOM 32 C LIG 1 -0.973 -6.407 0.180 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -0.468 -6.563 1.471 0.00 0.00 +0.003 A ATOM 34 C LIG 1 -0.445 -5.477 2.336 0.00 0.00 +0.038 A ATOM 35 C LIG 1 -0.913 -4.242 1.901 0.00 0.00 +0.127 A ATOM 36 F LIG 1 -0.896 -3.218 2.765 0.00 0.00 -0.205 F BRANCH 31 37 ATOM 37 C LIG 1 -2.028 -5.070 -1.674 0.00 0.00 +0.418 C ATOM 38 F LIG 1 -3.342 -4.711 -1.671 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -1.973 -6.246 -2.362 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -1.391 -4.159 -2.458 0.00 0.00 -0.166 F ENDBRANCH 31 37 ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 11