REMARK Name = BDB051403 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.336 3.126 -2.024 0.00 0.00 +0.011 C ATOM 2 C LIG 1 -5.067 1.621 -1.819 0.00 0.00 -0.034 C ATOM 3 C LIG 1 -3.534 1.369 -1.812 0.00 0.00 +0.015 C ATOM 4 C LIG 1 -2.999 0.697 -0.520 0.00 0.00 +0.033 C ATOM 5 C LIG 1 -3.836 -0.545 -0.108 0.00 0.00 +0.074 C ATOM 6 C LIG 1 -3.387 -0.950 1.317 0.00 0.00 +0.019 C ATOM 7 C LIG 1 -1.896 -1.286 1.392 0.00 0.00 +0.012 C ATOM 8 C LIG 1 -0.931 -0.194 0.836 0.00 0.00 -0.005 C ATOM 9 C LIG 1 0.549 -0.835 0.588 0.00 0.00 -0.019 C ATOM 10 C LIG 1 1.476 0.255 -0.079 0.00 0.00 +0.006 C ATOM 11 C LIG 1 3.068 -0.024 -0.095 0.00 0.00 -0.015 C ATOM 12 C LIG 1 3.485 -0.456 1.409 0.00 0.00 +0.012 C ATOM 13 C LIG 1 2.638 -1.671 1.857 0.00 0.00 +0.006 C ATOM 14 C LIG 1 3.479 -1.107 -1.122 0.00 0.00 +0.012 C ATOM 15 C LIG 1 0.856 0.679 -1.433 0.00 0.00 +0.031 C ATOM 16 C LIG 1 -0.642 0.796 -1.453 0.00 0.00 -0.026 C ATOM 17 C LIG 1 0.429 -2.089 -0.336 0.00 0.00 +0.012 C ATOM 18 C LIG 1 1.159 -1.311 1.925 0.00 0.00 +0.008 C ATOM 19 C LIG 1 -0.909 0.967 1.878 0.00 0.00 +0.016 C ATOM 20 C LIG 1 -5.359 -0.242 -0.083 0.00 0.00 +0.019 C ATOM 21 C LIG 1 -1.481 0.433 -0.463 0.00 0.00 -0.063 C ATOM 22 C LIG 1 -5.721 1.186 -0.495 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -5.718 0.869 -2.999 0.00 0.00 +0.011 C ENDROOT BRANCH 12 24 ATOM 24 C LIG 1 5.023 -0.615 1.811 0.00 0.00 +0.065 C ATOM 25 C LIG 1 5.193 -1.210 3.235 0.00 0.00 +0.023 C ATOM 26 C LIG 1 5.822 -1.525 0.862 0.00 0.00 +0.023 C BRANCH 24 27 ATOM 27 C LIG 1 5.739 0.737 1.917 0.00 0.00 +0.311 C ATOM 28 O LIG 1 6.845 1.012 1.484 0.00 0.00 -0.250 OA BRANCH 27 29 ATOM 29 O LIG 1 5.052 1.664 2.614 0.00 0.00 -0.480 OA ATOM 30 H LIG 1 5.661 2.436 2.640 0.00 0.00 +0.295 HD ENDBRANCH 27 29 ENDBRANCH 24 27 ENDBRANCH 12 24 BRANCH 5 31 ATOM 31 C LIG 1 -3.625 -1.705 -1.091 0.00 0.00 +0.312 C ATOM 32 O LIG 1 -3.248 -1.636 -2.251 0.00 0.00 -0.250 OA BRANCH 31 33 ATOM 33 O LIG 1 -3.979 -2.907 -0.590 0.00 0.00 -0.480 OA ATOM 34 H LIG 1 -3.810 -3.514 -1.344 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 5 31 BRANCH 11 35 ATOM 35 C LIG 1 3.834 1.302 -0.444 0.00 0.00 +0.127 C BRANCH 35 36 ATOM 36 C LIG 1 3.638 1.980 -1.778 0.00 0.00 +0.305 C ATOM 37 O LIG 1 3.491 3.188 -1.944 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 3.735 1.157 -2.843 0.00 0.00 -0.481 OA ATOM 39 H LIG 1 3.640 1.763 -3.610 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 11 35 TORSDOF 8