REMARK Name = BDB058947 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.469 0.380 -0.651 0.00 0.00 +0.044 A ATOM 2 C LIG 1 -2.209 1.537 -0.514 0.00 0.00 +0.173 A ATOM 3 O LIG 1 -3.532 1.212 -0.456 0.00 0.00 -0.354 OA ATOM 4 N LIG 1 -3.683 -0.158 -0.523 0.00 0.00 -0.077 NA ATOM 5 C LIG 1 -2.448 -0.657 -0.645 0.00 0.00 +0.121 A ENDROOT BRANCH 5 6 ATOM 6 C LIG 1 -2.231 -2.096 -0.720 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -2.199 -2.871 0.461 0.00 0.00 +0.065 A ATOM 8 C LIG 1 -1.995 -4.261 0.359 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -1.815 -4.872 -0.881 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -1.838 -4.103 -2.041 0.00 0.00 +0.021 A ATOM 11 C LIG 1 -2.045 -2.723 -1.965 0.00 0.00 +0.051 A ATOM 12 CL LIG 1 -2.054 -1.843 -3.457 0.00 0.00 -0.083 Cl BRANCH 7 13 ATOM 13 C LIG 1 -2.388 -2.251 1.827 0.00 0.00 +0.418 C ATOM 14 F LIG 1 -2.092 -3.115 2.843 0.00 0.00 -0.166 F ATOM 15 F LIG 1 -3.665 -1.848 2.061 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -1.592 -1.165 2.052 0.00 0.00 -0.166 F ENDBRANCH 7 13 ENDBRANCH 5 6 BRANCH 2 17 ATOM 17 C LIG 1 -1.912 2.957 -0.404 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -2.702 3.903 -1.069 0.00 0.00 +0.057 A ATOM 19 C LIG 1 -2.409 5.260 -0.965 0.00 0.00 +0.118 A ATOM 20 C LIG 1 -1.336 5.704 -0.200 0.00 0.00 +0.045 A ATOM 21 C LIG 1 -0.547 4.772 0.473 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -0.834 3.407 0.373 0.00 0.00 +0.012 A BRANCH 19 23 ATOM 23 O LIG 1 -3.208 6.135 -1.640 0.00 0.00 -0.507 OA ATOM 24 H LIG 1 -2.906 7.040 -1.458 0.00 0.00 +0.292 HD ENDBRANCH 19 23 ENDBRANCH 2 17 BRANCH 1 25 ATOM 25 C LIG 1 0.005 0.214 -0.771 0.00 0.00 +0.143 C BRANCH 25 26 ATOM 26 N LIG 1 0.614 -0.488 0.354 0.00 0.00 -0.340 N ATOM 27 H LIG 1 0.162 -0.274 1.243 0.00 0.00 +0.146 HD BRANCH 26 31 ATOM 28 C LIG 1 4.784 -0.983 0.788 0.00 0.00 +0.059 A ATOM 29 C LIG 1 3.920 -1.158 1.870 0.00 0.00 +0.017 A ATOM 30 C LIG 1 2.542 -0.974 1.701 0.00 0.00 +0.024 A ATOM 31 C LIG 1 2.000 -0.587 0.466 0.00 0.00 +0.027 A ATOM 32 C LIG 1 2.877 -0.455 -0.617 0.00 0.00 +0.024 A ATOM 33 C LIG 1 4.257 -0.636 -0.458 0.00 0.00 +0.017 A BRANCH 28 35 ATOM 34 O LIG 1 7.061 -1.037 0.010 0.00 0.00 -0.245 OA ATOM 35 C LIG 1 6.250 -1.166 0.909 0.00 0.00 +0.337 C BRANCH 35 36 ATOM 36 O LIG 1 6.634 -1.502 2.153 0.00 0.00 -0.477 OA ATOM 37 H LIG 1 7.608 -1.589 2.082 0.00 0.00 +0.295 HD ENDBRANCH 35 36 ENDBRANCH 28 35 ENDBRANCH 26 31 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 9