REMARK Name = BDB047786 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.186 -0.222 0.867 0.00 0.00 -0.009 A ATOM 2 C LIG 1 -0.958 0.950 0.909 0.00 0.00 +0.015 A ATOM 3 C LIG 1 -2.360 0.905 0.877 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.979 -0.355 0.797 0.00 0.00 +0.017 A ATOM 5 C LIG 1 -2.237 -1.548 0.748 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -0.836 -1.461 0.782 0.00 0.00 +0.015 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.159 2.140 0.923 0.00 0.00 -0.018 A ATOM 8 C LIG 1 -4.123 2.415 -0.060 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -4.884 3.588 -0.018 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -4.705 4.517 1.017 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -3.739 4.254 1.997 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -2.979 3.080 1.950 0.00 0.00 +0.009 A BRANCH 10 13 ATOM 13 C LIG 1 -5.510 5.793 1.051 0.00 0.00 +0.417 C ATOM 14 F LIG 1 -4.915 6.799 0.353 0.00 0.00 -0.166 F ATOM 15 F LIG 1 -6.756 5.653 0.517 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -5.699 6.274 2.312 0.00 0.00 -0.166 F ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 5 17 ATOM 17 C LIG 1 -2.912 -2.854 0.660 0.00 0.00 -0.018 A ATOM 18 C LIG 1 -2.659 -3.863 1.603 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -3.300 -5.104 1.521 0.00 0.00 +0.013 A ATOM 20 C LIG 1 -4.217 -5.366 0.494 0.00 0.00 +0.055 A ATOM 21 C LIG 1 -4.466 -4.367 -0.456 0.00 0.00 +0.013 A ATOM 22 C LIG 1 -3.825 -3.127 -0.370 0.00 0.00 +0.009 A BRANCH 20 23 ATOM 23 C LIG 1 -4.891 -6.712 0.391 0.00 0.00 +0.417 C ATOM 24 F LIG 1 -5.079 -7.311 1.600 0.00 0.00 -0.166 F ATOM 25 F LIG 1 -6.123 -6.651 -0.188 0.00 0.00 -0.166 F ATOM 26 F LIG 1 -4.171 -7.595 -0.355 0.00 0.00 -0.166 F ENDBRANCH 20 23 ENDBRANCH 5 17 BRANCH 1 27 ATOM 27 C LIG 1 1.321 -0.138 0.894 0.00 0.00 +0.264 C BRANCH 27 28 ATOM 28 O LIG 1 1.756 0.433 -0.338 0.00 0.00 -0.487 OA BRANCH 28 34 ATOM 29 C LIG 1 5.157 2.236 -3.273 0.00 0.00 +0.047 C ATOM 30 C LIG 1 4.799 1.553 -1.986 0.00 0.00 -0.005 A ATOM 31 C LIG 1 5.781 1.166 -1.068 0.00 0.00 +0.124 A ATOM 32 C LIG 1 5.431 0.569 0.143 0.00 0.00 +0.049 A ATOM 33 C LIG 1 4.091 0.301 0.431 0.00 0.00 +0.049 A ATOM 34 C LIG 1 3.099 0.643 -0.487 0.00 0.00 +0.121 A ATOM 35 C LIG 1 3.459 1.266 -1.688 0.00 0.00 +0.052 A BRANCH 31 36 ATOM 36 O LIG 1 7.100 1.429 -1.323 0.00 0.00 -0.481 OA BRANCH 36 37 ATOM 37 C LIG 1 7.744 0.299 -1.907 0.00 0.00 +0.349 C BRANCH 37 38 ATOM 38 C LIG 1 8.537 -0.562 -0.926 0.00 0.00 +0.343 C ATOM 39 O LIG 1 8.651 -0.360 0.274 0.00 0.00 -0.247 OA BRANCH 38 40 ATOM 40 O LIG 1 9.138 -1.622 -1.528 0.00 0.00 -0.478 OA ATOM 41 H LIG 1 8.982 -1.685 -2.489 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 31 36 ENDBRANCH 28 34 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 11