REMARK Name = BDB046211 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.367 2.097 -0.242 0.00 0.00 +0.050 A ATOM 2 C LIG 1 -1.759 1.728 1.034 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.347 2.337 2.326 0.00 0.00 +0.066 C ATOM 4 N LIG 1 -2.637 0.657 1.083 0.00 0.00 -0.244 NA ATOM 5 C LIG 1 -2.926 0.217 -0.127 0.00 0.00 +0.109 A ATOM 6 S LIG 1 -2.159 1.097 -1.392 0.00 0.00 -0.069 S ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.834 -0.920 -0.391 0.00 0.00 +0.007 A ATOM 8 C LIG 1 -4.423 -1.582 0.700 0.00 0.00 +0.011 A ATOM 9 C LIG 1 -5.293 -2.662 0.517 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -5.596 -3.120 -0.770 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -5.020 -2.466 -1.867 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -4.149 -1.384 -1.679 0.00 0.00 +0.011 A BRANCH 10 13 ATOM 13 C LIG 1 -6.555 -4.269 -0.971 0.00 0.00 +0.417 C ATOM 14 F LIG 1 -6.459 -5.219 0.001 0.00 0.00 -0.166 F ATOM 15 F LIG 1 -7.855 -3.862 -0.970 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -6.370 -4.925 -2.151 0.00 0.00 -0.166 F ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 1 17 ATOM 17 C LIG 1 -0.452 3.194 -0.686 0.00 0.00 +0.273 C BRANCH 17 18 ATOM 18 O LIG 1 0.558 2.665 -1.551 0.00 0.00 -0.487 OA BRANCH 18 24 ATOM 19 C LIG 1 3.536 1.377 2.226 0.00 0.00 +0.044 C ATOM 20 C LIG 1 3.210 1.410 0.756 0.00 0.00 -0.040 A ATOM 21 C LIG 1 4.056 0.816 -0.200 0.00 0.00 -0.022 A ATOM 22 C LIG 1 3.706 0.877 -1.555 0.00 0.00 +0.012 A ATOM 23 C LIG 1 2.526 1.508 -1.955 0.00 0.00 +0.046 A ATOM 24 C LIG 1 1.675 2.091 -1.016 0.00 0.00 +0.121 A ATOM 25 C LIG 1 2.024 2.044 0.333 0.00 0.00 +0.049 A BRANCH 21 26 ATOM 26 C LIG 1 5.311 0.163 0.193 0.00 0.00 +0.015 C ATOM 27 C LIG 1 5.575 -1.120 -0.099 0.00 0.00 +0.092 C BRANCH 27 28 ATOM 28 C LIG 1 6.813 -1.803 0.295 0.00 0.00 +0.330 C ATOM 29 O LIG 1 7.069 -2.965 0.036 0.00 0.00 -0.246 OA BRANCH 28 30 ATOM 30 O LIG 1 7.668 -1.032 0.983 0.00 0.00 -0.478 OA ATOM 31 H LIG 1 8.426 -1.627 1.160 0.00 0.00 +0.295 HD ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 21 26 ENDBRANCH 18 24 ENDBRANCH 17 18 ENDBRANCH 1 17 TORSDOF 8