REMARK Name = BDB063736 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.150 0.132 -0.356 0.00 0.00 +0.135 C ENDROOT BRANCH 1 3 ATOM 2 O LIG 1 1.141 -1.128 -1.950 0.00 0.00 -0.291 OA ATOM 3 C LIG 1 1.143 -0.443 -0.926 0.00 0.00 +0.174 C BRANCH 3 4 ATOM 4 C LIG 1 2.457 -0.170 -0.258 0.00 0.00 +0.018 A ATOM 5 C LIG 1 3.628 -0.562 -0.926 0.00 0.00 +0.013 A ATOM 6 C LIG 1 4.885 -0.338 -0.358 0.00 0.00 +0.020 A ATOM 7 C LIG 1 4.979 0.279 0.886 0.00 0.00 +0.041 A ATOM 8 CL LIG 1 6.521 0.557 1.591 0.00 0.00 -0.084 Cl ATOM 9 C LIG 1 3.826 0.671 1.563 0.00 0.00 +0.020 A ATOM 10 C LIG 1 2.566 0.447 0.995 0.00 0.00 +0.013 A ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 11 ATOM 11 C LIG 1 -1.373 -0.677 -0.800 0.00 0.00 +0.177 C ATOM 12 O LIG 1 -2.373 -0.156 -1.292 0.00 0.00 -0.291 OA BRANCH 11 13 ATOM 13 C LIG 1 -1.407 -2.154 -0.604 0.00 0.00 +0.056 A ATOM 14 C LIG 1 -0.668 -2.803 0.389 0.00 0.00 +0.134 A ATOM 15 F LIG 1 0.105 -2.117 1.242 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -0.730 -4.189 0.538 0.00 0.00 +0.042 A ATOM 17 C LIG 1 -1.544 -4.940 -0.308 0.00 0.00 +0.041 A ATOM 18 C LIG 1 -2.290 -4.295 -1.289 0.00 0.00 +0.124 A ATOM 19 F LIG 1 -3.077 -5.017 -2.096 0.00 0.00 -0.205 F ATOM 20 C LIG 1 -2.233 -2.914 -1.443 0.00 0.00 +0.052 A ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 1 21 ATOM 21 C LIG 1 -0.244 1.604 -0.819 0.00 0.00 +0.056 C BRANCH 21 22 ATOM 22 C LIG 1 -1.262 2.455 -0.079 0.00 0.00 -0.028 A ATOM 23 C LIG 1 -2.281 3.170 -0.735 0.00 0.00 +0.044 A ATOM 24 CL LIG 1 -2.462 3.171 -2.455 0.00 0.00 -0.083 Cl ATOM 25 C LIG 1 -3.192 3.945 -0.006 0.00 0.00 +0.020 A ATOM 26 C LIG 1 -3.094 4.033 1.380 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -2.078 3.354 2.043 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -1.168 2.578 1.321 0.00 0.00 +0.005 A ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 6