REMARK Name = BDB036292 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.367 1.527 0.109 0.00 0.00 -0.028 A ATOM 2 C LIG 1 0.158 2.647 -0.532 0.00 0.00 -0.040 A ATOM 3 C LIG 1 -0.356 4.058 -0.548 0.00 0.00 +0.036 C ATOM 4 C LIG 1 0.871 4.830 -1.052 0.00 0.00 +0.009 C ATOM 5 C LIG 1 1.642 3.868 -1.960 0.00 0.00 +0.036 C ATOM 6 C LIG 1 1.297 2.548 -1.341 0.00 0.00 -0.044 A ATOM 7 C LIG 1 1.942 1.339 -1.540 0.00 0.00 +0.008 A ATOM 8 C LIG 1 1.451 0.187 -0.907 0.00 0.00 -0.039 A ATOM 9 C LIG 1 0.310 0.304 -0.078 0.00 0.00 +0.009 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -1.595 1.602 0.986 0.00 0.00 +0.145 C BRANCH 10 21 ATOM 11 C LIG 1 -4.301 -0.871 1.373 0.00 0.00 +0.189 C ATOM 12 O LIG 1 -5.239 0.208 1.206 0.00 0.00 -0.484 OA ATOM 13 C LIG 1 -5.757 0.245 -0.057 0.00 0.00 +0.165 A ATOM 14 C LIG 1 -5.058 0.788 -1.132 0.00 0.00 +0.148 A ATOM 15 C LIG 1 -5.646 0.835 -2.407 0.00 0.00 +0.032 A ATOM 16 C LIG 1 -6.942 0.361 -2.602 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -7.655 -0.159 -1.524 0.00 0.00 +0.024 A ATOM 18 S LIG 1 -3.409 1.421 -0.999 0.00 0.00 +0.065 S ATOM 19 O LIG 1 -3.523 2.863 -0.980 0.00 0.00 -0.153 OA ATOM 20 O LIG 1 -2.649 0.734 -2.023 0.00 0.00 -0.153 OA ATOM 21 N LIG 1 -2.810 0.914 0.498 0.00 0.00 -0.169 NA ATOM 22 C LIG 1 -7.068 -0.210 -0.257 0.00 0.00 +0.084 A ATOM 23 CL LIG 1 -7.995 -0.871 1.044 0.00 0.00 -0.080 Cl ATOM 24 C LIG 1 -2.909 -0.530 0.793 0.00 0.00 +0.154 C BRANCH 11 26 ATOM 25 C LIG 1 -3.814 -0.038 3.764 0.00 0.00 +0.007 C ATOM 26 C LIG 1 -4.250 -1.198 2.877 0.00 0.00 +0.042 C ENDBRANCH 11 26 ENDBRANCH 10 21 ENDBRANCH 1 10 BRANCH 8 27 ATOM 27 C LIG 1 2.178 -1.145 -1.137 0.00 0.00 +0.060 C BRANCH 27 28 ATOM 28 C LIG 1 3.406 -1.282 -0.222 0.00 0.00 -0.034 A ATOM 29 C LIG 1 4.732 -1.306 -0.747 0.00 0.00 -0.017 A ATOM 30 C LIG 1 5.019 -1.193 -2.219 0.00 0.00 +0.046 C ATOM 31 C LIG 1 5.796 -1.443 0.174 0.00 0.00 +0.116 A ATOM 32 N LIG 1 7.151 -1.499 -0.044 0.00 0.00 -0.129 NA ATOM 33 N LIG 1 7.758 -1.632 1.127 0.00 0.00 -0.065 NA ATOM 34 N LIG 1 6.802 -1.660 2.073 0.00 0.00 -0.247 N ATOM 35 C LIG 1 7.184 -1.799 3.452 0.00 0.00 +0.175 C ATOM 36 C LIG 1 5.548 -1.545 1.537 0.00 0.00 +0.089 A ATOM 37 C LIG 1 4.265 -1.518 2.079 0.00 0.00 +0.030 A ATOM 38 C LIG 1 3.208 -1.384 1.173 0.00 0.00 +0.007 A ENDBRANCH 27 28 BRANCH 27 39 ATOM 39 C LIG 1 1.250 -2.372 -1.052 0.00 0.00 +0.133 C BRANCH 39 40 ATOM 40 C LIG 1 1.921 -3.635 -1.505 0.00 0.00 +0.306 C ATOM 41 O LIG 1 2.050 -4.651 -0.841 0.00 0.00 -0.251 OA BRANCH 40 42 ATOM 42 O LIG 1 2.335 -3.595 -2.784 0.00 0.00 -0.481 OA ATOM 43 H LIG 1 2.726 -4.481 -2.938 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 27 39 ENDBRANCH 8 27 TORSDOF 8