REMARK Name = BDB006443 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.403 -2.501 -2.489 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.686 -1.924 -1.317 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.040 -0.739 -0.600 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.097 -0.560 0.415 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.153 0.535 1.295 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.193 1.456 1.142 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -2.159 1.293 0.149 0.00 0.00 +0.037 A ATOM 8 N LIG 1 0.805 -1.607 0.321 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -2.083 0.205 -0.735 0.00 0.00 +0.023 A ATOM 10 C LIG 1 0.454 -2.443 -0.723 0.00 0.00 +0.020 A ATOM 11 C LIG 1 1.238 -3.660 -1.085 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -3.240 2.311 0.045 0.00 0.00 +0.244 C ATOM 13 N LIG 1 -4.443 1.876 -0.471 0.00 0.00 -0.307 N ATOM 14 H LIG 1 -4.600 0.881 -0.581 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 -3.051 3.457 0.438 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -5.598 2.740 -0.507 0.00 0.00 +0.140 C BRANCH 16 17 ATOM 17 C LIG 1 -6.427 2.587 0.751 0.00 0.00 -0.019 A ATOM 18 C LIG 1 -7.333 1.515 0.932 0.00 0.00 +0.061 A ATOM 19 C LIG 1 -8.060 1.430 2.136 0.00 0.00 +0.032 A ATOM 20 C LIG 1 -7.878 2.375 3.144 0.00 0.00 +0.042 A ATOM 21 CL LIG 1 -8.773 2.245 4.607 0.00 0.00 -0.084 Cl ATOM 22 C LIG 1 -6.973 3.416 2.978 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -6.249 3.519 1.790 0.00 0.00 +0.007 A BRANCH 18 24 ATOM 24 C LIG 1 -7.538 0.464 -0.134 0.00 0.00 +0.418 C ATOM 25 F LIG 1 -8.085 0.976 -1.271 0.00 0.00 -0.166 F ATOM 26 F LIG 1 -8.359 -0.553 0.247 0.00 0.00 -0.166 F ATOM 27 F LIG 1 -6.370 -0.130 -0.517 0.00 0.00 -0.166 F ENDBRANCH 18 24 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 28 ATOM 28 C LIG 1 1.931 -1.819 1.233 0.00 0.00 +0.157 C BRANCH 28 29 ATOM 29 C LIG 1 3.267 -1.456 0.627 0.00 0.00 -0.028 A ATOM 30 C LIG 1 4.353 -2.332 0.760 0.00 0.00 +0.006 A ATOM 31 C LIG 1 5.607 -2.003 0.234 0.00 0.00 +0.009 A ATOM 32 C LIG 1 5.817 -0.786 -0.432 0.00 0.00 -0.018 A ATOM 33 C LIG 1 4.730 0.093 -0.549 0.00 0.00 +0.009 A ATOM 34 C LIG 1 3.475 -0.232 -0.022 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 7.136 -0.442 -0.988 0.00 0.00 -0.018 A ATOM 36 C LIG 1 7.280 -0.080 -2.338 0.00 0.00 +0.008 A ATOM 37 C LIG 1 8.531 0.247 -2.867 0.00 0.00 +0.001 A ATOM 38 C LIG 1 9.661 0.219 -2.053 0.00 0.00 +0.000 A ATOM 39 C LIG 1 9.541 -0.136 -0.712 0.00 0.00 +0.001 A ATOM 40 C LIG 1 8.288 -0.464 -0.185 0.00 0.00 +0.008 A ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 7