REMARK Name = BDB053330 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.135 1.069 0.375 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -1.043 0.585 1.366 0.00 0.00 -0.490 OA BRANCH 2 7 ATOM 3 C LIG 1 -6.519 -0.472 0.219 0.00 0.00 -0.034 C ATOM 4 C LIG 1 -5.103 -0.177 0.530 0.00 0.00 +0.022 A ATOM 5 C LIG 1 -4.220 0.142 -0.508 0.00 0.00 +0.133 A ATOM 6 C LIG 1 -2.861 0.393 -0.266 0.00 0.00 +0.093 A ATOM 7 C LIG 1 -2.350 0.358 1.030 0.00 0.00 +0.142 A ATOM 8 C LIG 1 -3.229 0.050 2.077 0.00 0.00 +0.083 A ATOM 9 CL LIG 1 -2.682 -0.020 3.719 0.00 0.00 -0.080 Cl ATOM 10 O LIG 1 -4.581 0.203 -1.825 0.00 0.00 -0.481 OA ATOM 11 C LIG 1 -5.982 0.280 -2.133 0.00 0.00 +0.124 C ATOM 12 C LIG 1 -6.175 -0.567 -3.397 0.00 0.00 +0.060 C ATOM 13 C LIG 1 -6.311 1.746 -2.441 0.00 0.00 +0.060 C ATOM 14 C LIG 1 -4.583 -0.212 1.831 0.00 0.00 +0.035 A ATOM 15 C LIG 1 -6.897 -0.234 -1.049 0.00 0.00 +0.024 C BRANCH 3 17 ATOM 16 C LIG 1 -8.113 0.139 2.066 0.00 0.00 +0.012 C ATOM 17 C LIG 1 -7.464 -1.010 1.288 0.00 0.00 +0.013 C ATOM 18 C LIG 1 -8.557 -1.948 0.752 0.00 0.00 +0.012 C ENDBRANCH 3 17 ENDBRANCH 2 7 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 0.546 -0.100 -0.334 0.00 0.00 +0.082 C BRANCH 19 20 ATOM 20 C LIG 1 1.459 0.365 -1.464 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 O LIG 1 2.418 1.321 -1.017 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 3.600 0.878 -0.495 0.00 0.00 +0.121 A ATOM 23 C LIG 1 4.497 1.893 -0.154 0.00 0.00 +0.046 A ATOM 24 C LIG 1 5.745 1.591 0.395 0.00 0.00 +0.007 A ATOM 25 C LIG 1 6.120 0.261 0.611 0.00 0.00 -0.046 A ATOM 26 C LIG 1 5.215 -0.754 0.276 0.00 0.00 +0.007 A ATOM 27 C LIG 1 3.965 -0.448 -0.274 0.00 0.00 +0.046 A BRANCH 25 28 ATOM 28 C LIG 1 7.470 -0.073 1.203 0.00 0.00 +0.052 C BRANCH 28 29 ATOM 29 C LIG 1 8.625 -0.305 0.198 0.00 0.00 +0.066 C ATOM 30 C LIG 1 8.361 -1.495 -0.741 0.00 0.00 +0.023 C ATOM 31 C LIG 1 8.899 0.942 -0.661 0.00 0.00 +0.023 C BRANCH 29 32 ATOM 32 C LIG 1 9.870 -0.587 1.032 0.00 0.00 +0.311 C ATOM 33 O LIG 1 10.772 0.196 1.285 0.00 0.00 -0.250 OA BRANCH 32 34 ATOM 34 O LIG 1 9.901 -1.827 1.558 0.00 0.00 -0.480 OA ATOM 35 H LIG 1 10.736 -1.845 2.071 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 29 32 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 11