REMARK Name = BDB065143 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.106 -0.528 -0.630 0.00 0.00 +0.181 C ATOM 2 C LIG 1 -0.710 0.046 -0.197 0.00 0.00 +0.052 C ATOM 3 C LIG 1 -0.639 1.607 -0.462 0.00 0.00 +0.078 C ATOM 4 C LIG 1 0.746 2.117 0.052 0.00 0.00 +0.189 C ATOM 5 C LIG 1 0.941 1.808 1.529 0.00 0.00 +0.049 C ATOM 6 C LIG 1 1.056 0.302 1.773 0.00 0.00 -0.004 C ATOM 7 C LIG 1 1.376 0.148 3.275 0.00 0.00 +0.008 C ATOM 8 C LIG 1 -0.780 1.843 -2.068 0.00 0.00 +0.092 C ATOM 9 C LIG 1 -1.580 0.705 -2.767 0.00 0.00 +0.040 C ATOM 10 C LIG 1 -0.168 -0.536 1.225 0.00 0.00 -0.019 C ATOM 11 C LIG 1 -1.276 -0.589 2.307 0.00 0.00 +0.012 C ATOM 12 C LIG 1 -2.674 0.106 -1.906 0.00 0.00 +0.048 C ENDROOT BRANCH 8 13 ATOM 13 O LIG 1 -1.519 3.057 -2.295 0.00 0.00 -0.387 OA ATOM 14 H LIG 1 -1.488 3.249 -3.252 0.00 0.00 +0.210 HD ENDBRANCH 8 13 BRANCH 8 15 ATOM 15 C LIG 1 0.581 1.986 -2.818 0.00 0.00 +0.144 C ATOM 16 CL LIG 1 0.374 2.277 -4.582 0.00 0.00 -0.122 Cl ENDBRANCH 8 15 BRANCH 10 17 ATOM 17 C LIG 1 0.255 -2.051 0.944 0.00 0.00 +0.035 C BRANCH 17 18 ATOM 18 C LIG 1 1.326 -2.688 1.786 0.00 0.00 -0.019 C ATOM 19 C LIG 1 2.549 -3.067 1.362 0.00 0.00 -0.001 C BRANCH 19 20 ATOM 20 C LIG 1 3.487 -3.637 2.376 0.00 0.00 +0.254 C ATOM 21 O LIG 1 3.168 -3.891 3.531 0.00 0.00 -0.296 OA ENDBRANCH 19 20 BRANCH 19 22 ATOM 22 C LIG 1 3.075 -2.995 -0.044 0.00 0.00 +0.158 C BRANCH 22 23 ATOM 23 C LIG 1 3.439 -1.577 -0.427 0.00 0.00 +0.311 C ATOM 24 O LIG 1 2.762 -0.872 -1.166 0.00 0.00 -0.250 OA BRANCH 23 25 ATOM 25 O LIG 1 4.595 -1.198 0.185 0.00 0.00 -0.468 OA ATOM 26 C LIG 1 4.971 0.159 -0.069 0.00 0.00 +0.280 C ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 17 18 ENDBRANCH 10 17 BRANCH 3 27 ATOM 27 C LIG 1 -1.807 2.332 0.304 0.00 0.00 +0.246 C BRANCH 27 28 ATOM 28 O LIG 1 -1.642 3.756 0.357 0.00 0.00 -0.464 OA BRANCH 28 29 ATOM 29 C LIG 1 -2.670 4.433 0.933 0.00 0.00 +0.304 C ATOM 30 O LIG 1 -3.659 3.925 1.443 0.00 0.00 -0.251 OA ATOM 31 C LIG 1 -2.409 5.906 0.869 0.00 0.00 +0.136 C ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 3 27 BRANCH 4 32 ATOM 32 O LIG 1 0.890 3.538 -0.142 0.00 0.00 -0.461 OA BRANCH 32 33 ATOM 33 C LIG 1 2.154 4.036 -0.222 0.00 0.00 +0.304 C ATOM 34 O LIG 1 3.182 3.376 -0.182 0.00 0.00 -0.251 OA ATOM 35 C LIG 1 2.104 5.524 -0.386 0.00 0.00 +0.136 C ENDBRANCH 32 33 ENDBRANCH 4 32 BRANCH 1 36 ATOM 36 O LIG 1 -1.946 -1.939 -0.885 0.00 0.00 -0.458 OA BRANCH 36 37 ATOM 37 C LIG 1 -3.040 -2.723 -0.694 0.00 0.00 +0.335 C ATOM 38 O LIG 1 -4.133 -2.328 -0.318 0.00 0.00 -0.245 OA BRANCH 37 41 ATOM 39 C LIG 1 -1.137 -5.917 -1.922 0.00 0.00 +0.036 C ATOM 40 C LIG 1 -1.590 -4.534 -1.575 0.00 0.00 -0.020 C ATOM 41 C LIG 1 -2.740 -4.165 -0.972 0.00 0.00 +0.029 C ATOM 42 C LIG 1 -3.834 -5.091 -0.524 0.00 0.00 +0.051 C ENDBRANCH 37 41 ENDBRANCH 36 37 ENDBRANCH 1 36 TORSDOF 16