REMARK Name = BDB063743 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.351 -0.517 0.072 0.00 0.00 +0.135 C ENDROOT BRANCH 1 3 ATOM 2 O LIG 1 1.408 -1.112 1.585 0.00 0.00 -0.291 OA ATOM 3 C LIG 1 1.078 -0.456 0.595 0.00 0.00 +0.174 C BRANCH 3 4 ATOM 4 C LIG 1 2.115 0.379 -0.052 0.00 0.00 +0.018 A ATOM 5 C LIG 1 2.392 0.291 -1.419 0.00 0.00 +0.013 A ATOM 6 C LIG 1 3.383 1.103 -1.980 0.00 0.00 +0.020 A ATOM 7 C LIG 1 4.099 1.986 -1.172 0.00 0.00 +0.041 A ATOM 8 CL LIG 1 5.309 2.989 -1.869 0.00 0.00 -0.084 Cl ATOM 9 C LIG 1 3.843 2.058 0.197 0.00 0.00 +0.020 A ATOM 10 C LIG 1 2.856 1.248 0.760 0.00 0.00 +0.013 A ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 11 ATOM 11 C LIG 1 -0.557 -1.793 -0.725 0.00 0.00 +0.177 C ATOM 12 O LIG 1 0.007 -1.987 -1.801 0.00 0.00 -0.291 OA BRANCH 11 13 ATOM 13 C LIG 1 -1.428 -2.860 -0.184 0.00 0.00 +0.056 A ATOM 14 C LIG 1 -2.635 -2.570 0.456 0.00 0.00 +0.134 A ATOM 15 F LIG 1 -3.059 -1.304 0.581 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -3.444 -3.592 0.948 0.00 0.00 +0.042 A ATOM 17 C LIG 1 -3.048 -4.920 0.790 0.00 0.00 +0.041 A ATOM 18 C LIG 1 -1.854 -5.207 0.134 0.00 0.00 +0.124 A ATOM 19 F LIG 1 -1.483 -6.484 -0.025 0.00 0.00 -0.205 F ATOM 20 C LIG 1 -1.041 -4.193 -0.360 0.00 0.00 +0.052 A ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 1 21 ATOM 21 C LIG 1 -0.856 0.678 -0.751 0.00 0.00 +0.056 C BRANCH 21 22 ATOM 22 C LIG 1 -0.879 1.988 -0.003 0.00 0.00 -0.028 A ATOM 23 C LIG 1 -1.675 2.168 1.127 0.00 0.00 +0.116 A ATOM 24 N LIG 1 -1.734 3.313 1.840 0.00 0.00 -0.243 NA ATOM 25 C LIG 1 -0.973 4.334 1.398 0.00 0.00 +0.129 A ATOM 26 CL LIG 1 -1.077 5.765 2.336 0.00 0.00 -0.062 Cl ATOM 27 C LIG 1 -0.159 4.274 0.281 0.00 0.00 +0.040 A ATOM 28 C LIG 1 -0.118 3.080 -0.432 0.00 0.00 +0.008 A ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 6