REMARK Name = BDB059107 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.537 -0.167 1.386 0.00 0.00 +0.001 A ATOM 2 C LIG 1 1.108 -0.109 1.183 0.00 0.00 +0.034 A ATOM 3 C LIG 1 0.275 -0.096 2.332 0.00 0.00 +0.008 A ATOM 4 C LIG 1 -1.132 -0.046 2.148 0.00 0.00 +0.015 A ATOM 5 C LIG 1 -1.778 -0.007 0.893 0.00 0.00 -0.022 A ATOM 6 C LIG 1 -3.309 0.043 0.817 0.00 0.00 +0.017 C ATOM 7 C LIG 1 -3.787 1.334 1.532 0.00 0.00 +0.021 C ATOM 8 C LIG 1 -3.872 -1.203 1.552 0.00 0.00 +0.021 C ATOM 9 C LIG 1 -3.876 0.050 -0.611 0.00 0.00 -0.020 A ATOM 10 C LIG 1 -3.050 0.044 -1.750 0.00 0.00 +0.068 A ATOM 11 C LIG 1 -3.632 0.037 -3.036 0.00 0.00 +0.131 A ATOM 12 C LIG 1 -5.017 0.048 -3.201 0.00 0.00 +0.091 A ATOM 13 C LIG 1 -5.830 0.066 -2.084 0.00 0.00 +0.121 A ATOM 14 C LIG 1 -1.574 0.053 -1.583 0.00 0.00 +0.201 C ATOM 15 O LIG 1 -0.811 0.119 -2.544 0.00 0.00 -0.286 OA ATOM 16 C LIG 1 -5.280 0.067 -0.807 0.00 0.00 +0.050 A ATOM 17 C LIG 1 -0.965 -0.008 -0.233 0.00 0.00 +0.068 A ATOM 18 C LIG 1 0.862 -0.131 3.629 0.00 0.00 +0.090 A ATOM 19 CL LIG 1 -0.124 -0.117 5.069 0.00 0.00 -0.079 Cl ATOM 20 C LIG 1 2.248 -0.175 3.795 0.00 0.00 +0.136 A ATOM 21 C LIG 1 0.447 -0.059 -0.088 0.00 0.00 +0.136 A ATOM 22 C LIG 1 3.075 -0.195 2.688 0.00 0.00 +0.056 A ENDROOT BRANCH 1 24 ATOM 23 C LIG 1 4.135 1.011 -0.135 0.00 0.00 +0.132 A ATOM 24 C LIG 1 3.526 -0.197 0.281 0.00 0.00 +0.029 A ATOM 25 C LIG 1 3.896 -1.410 -0.363 0.00 0.00 -0.017 A ATOM 26 C LIG 1 3.262 -2.726 0.016 0.00 0.00 +0.046 C ATOM 27 C LIG 1 4.836 -1.360 -1.413 0.00 0.00 +0.086 A ATOM 28 CL LIG 1 5.301 -2.790 -2.281 0.00 0.00 -0.079 Cl ATOM 29 C LIG 1 5.428 -0.147 -1.787 0.00 0.00 +0.139 A ATOM 30 C LIG 1 5.095 1.035 -1.146 0.00 0.00 +0.093 A BRANCH 23 32 ATOM 31 C LIG 1 3.119 3.076 -0.333 0.00 0.00 +0.277 C ATOM 32 O LIG 1 3.824 2.178 0.526 0.00 0.00 -0.494 OA ENDBRANCH 23 32 BRANCH 29 33 ATOM 33 O LIG 1 6.360 -0.071 -2.788 0.00 0.00 -0.505 OA ATOM 34 H LIG 1 6.459 -0.971 -3.152 0.00 0.00 +0.292 HD ENDBRANCH 29 33 ENDBRANCH 1 24 BRANCH 13 35 ATOM 35 O LIG 1 -7.178 0.080 -2.281 0.00 0.00 -0.507 OA ATOM 36 H LIG 1 -7.630 0.091 -1.421 0.00 0.00 +0.292 HD ENDBRANCH 13 35 BRANCH 11 37 ATOM 37 O LIG 1 -2.859 0.012 -4.164 0.00 0.00 -0.506 OA ATOM 38 H LIG 1 -3.417 0.032 -4.957 0.00 0.00 +0.292 HD ENDBRANCH 11 37 BRANCH 20 39 ATOM 39 O LIG 1 2.797 -0.201 5.048 0.00 0.00 -0.505 OA ATOM 40 H LIG 1 3.765 -0.155 4.977 0.00 0.00 +0.292 HD ENDBRANCH 20 39 BRANCH 21 41 ATOM 41 O LIG 1 1.245 -0.059 -1.214 0.00 0.00 -0.505 OA ATOM 42 H LIG 1 0.672 0.006 -2.013 0.00 0.00 +0.292 HD ENDBRANCH 21 41 TORSDOF 7