REMARK Name = BDB059434 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.001 4.165 1.263 0.00 0.00 +0.055 C ATOM 2 C LIG 1 -1.194 4.025 -0.118 0.00 0.00 +0.130 C ATOM 3 C LIG 1 -2.143 3.796 -1.355 0.00 0.00 +0.043 C ATOM 4 C LIG 1 -0.281 5.270 -0.336 0.00 0.00 +0.043 C ATOM 5 O LIG 1 -0.304 2.848 -0.009 0.00 0.00 -0.487 OA ATOM 6 C LIG 1 -0.794 1.567 0.334 0.00 0.00 +0.127 C ATOM 7 C LIG 1 -2.070 1.458 1.182 0.00 0.00 +0.102 C ATOM 8 C LIG 1 -1.648 0.448 2.249 0.00 0.00 +0.163 C ATOM 9 O LIG 1 -1.300 0.772 3.381 0.00 0.00 -0.295 OA ATOM 10 C LIG 1 -1.514 -0.987 1.680 0.00 0.00 +0.111 C ATOM 11 C LIG 1 -0.582 -0.898 0.454 0.00 0.00 +0.185 C ATOM 12 O LIG 1 -0.210 -1.899 -0.153 0.00 0.00 -0.291 OA ATOM 13 C LIG 1 -2.951 -1.515 1.237 0.00 0.00 +0.010 C ATOM 14 C LIG 1 -2.957 -3.032 0.790 0.00 0.00 +0.001 C ATOM 15 C LIG 1 -3.938 -1.427 2.496 0.00 0.00 +0.001 C ATOM 16 C LIG 1 -3.583 -0.565 0.080 0.00 0.00 +0.019 C ATOM 17 C LIG 1 -3.095 0.785 0.407 0.00 0.00 +0.011 C ATOM 18 C LIG 1 -0.094 0.455 -0.014 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -2.383 2.791 1.616 0.00 0.00 +0.014 C ENDROOT BRANCH 18 20 ATOM 20 C LIG 1 1.065 0.577 -0.953 0.00 0.00 +0.200 C ATOM 21 O LIG 1 1.078 1.428 -1.835 0.00 0.00 -0.286 OA BRANCH 20 22 ATOM 22 C LIG 1 2.200 -0.375 -0.858 0.00 0.00 +0.024 A ATOM 23 C LIG 1 2.790 -0.821 -2.051 0.00 0.00 +0.040 A ATOM 24 C LIG 1 3.870 -1.724 -2.028 0.00 0.00 +0.114 A ATOM 25 C LIG 1 4.360 -2.173 -0.791 0.00 0.00 +0.114 A ATOM 26 C LIG 1 3.772 -1.707 0.403 0.00 0.00 +0.029 A ATOM 27 C LIG 1 2.708 -0.802 0.371 0.00 0.00 +0.014 A BRANCH 24 28 ATOM 28 S LIG 1 4.608 -2.240 -3.548 0.00 0.00 +0.011 S ATOM 29 O LIG 1 5.994 -1.849 -3.589 0.00 0.00 -0.169 OA ATOM 30 O LIG 1 4.020 -3.475 -3.999 0.00 0.00 -0.169 OA ATOM 31 C LIG 1 4.041 -1.185 -4.868 0.00 0.00 +0.182 C ENDBRANCH 24 28 BRANCH 25 32 ATOM 32 S LIG 1 5.648 -3.374 -0.637 0.00 0.00 +0.011 S ATOM 33 O LIG 1 5.855 -4.107 -1.856 0.00 0.00 -0.169 OA ATOM 34 O LIG 1 5.654 -3.950 0.686 0.00 0.00 -0.169 OA ATOM 35 C LIG 1 7.167 -2.463 -0.547 0.00 0.00 +0.182 C ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 18 20 BRANCH 1 36 ATOM 36 C LIG 1 -3.162 5.077 1.223 0.00 0.00 +0.025 C BRANCH 36 39 ATOM 37 C LIG 1 -5.331 8.228 1.680 0.00 0.00 +0.026 C ATOM 38 C LIG 1 -5.438 6.792 1.154 0.00 0.00 -0.048 C ATOM 39 C LIG 1 -4.396 6.017 1.183 0.00 0.00 -0.035 C ATOM 40 C LIG 1 -6.810 6.190 0.821 0.00 0.00 +0.026 C ENDBRANCH 36 39 ENDBRANCH 1 36 BRANCH 10 41 ATOM 41 C LIG 1 -0.838 -1.859 2.687 0.00 0.00 +0.040 C BRANCH 41 42 ATOM 42 C LIG 1 -0.068 -2.746 3.702 0.00 0.00 -0.034 C ATOM 43 C LIG 1 0.636 -3.466 4.524 0.00 0.00 -0.048 C ATOM 44 C LIG 1 0.015 -3.989 5.821 0.00 0.00 +0.026 C ATOM 45 C LIG 1 2.158 -3.504 4.311 0.00 0.00 +0.026 C ENDBRANCH 41 42 ENDBRANCH 10 41 BRANCH 16 46 ATOM 46 C LIG 1 -3.141 -0.921 -1.287 0.00 0.00 +0.021 C BRANCH 46 47 ATOM 47 C LIG 1 -2.598 -1.306 -2.691 0.00 0.00 -0.035 C ATOM 48 C LIG 1 -2.090 -1.639 -3.840 0.00 0.00 -0.048 C ATOM 49 C LIG 1 -0.563 -1.735 -3.965 0.00 0.00 +0.026 C ATOM 50 C LIG 1 -3.005 -1.937 -5.029 0.00 0.00 +0.026 C ENDBRANCH 46 47 ENDBRANCH 16 46 TORSDOF 10