REMARK Name = BDB035994 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.859 -0.376 2.019 0.00 0.00 +0.056 A ATOM 2 N LIG 1 3.266 -1.377 1.178 0.00 0.00 -0.255 NA ATOM 3 C LIG 1 2.419 -1.891 0.247 0.00 0.00 +0.050 A ATOM 4 C LIG 1 1.130 -1.414 0.183 0.00 0.00 +0.004 A ATOM 5 C LIG 1 0.003 -1.795 -0.705 0.00 0.00 +0.151 C ATOM 6 N LIG 1 -1.090 -0.938 -0.257 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.678 -0.109 0.792 0.00 0.00 +0.252 C ATOM 8 O LIG 1 -1.278 0.721 1.448 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.731 -0.415 1.054 0.00 0.00 +0.045 A ATOM 10 C LIG 1 1.571 0.137 1.992 0.00 0.00 +0.038 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.388 -0.993 -0.837 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.430 -0.157 -0.407 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.722 -0.227 -0.968 0.00 0.00 -0.035 A ATOM 14 C LIG 1 -4.957 -1.152 -1.996 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -3.935 -1.981 -2.444 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.665 -1.902 -1.869 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.866 0.665 -0.493 0.00 0.00 +0.090 C BRANCH 17 18 ATOM 18 C LIG 1 -5.958 0.809 1.006 0.00 0.00 +0.141 A ATOM 19 N LIG 1 -6.086 -0.228 1.900 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -6.155 -1.637 1.622 0.00 0.00 +0.151 C ATOM 21 C LIG 1 -6.161 0.340 3.134 0.00 0.00 +0.224 A ATOM 22 N LIG 1 -6.126 1.645 3.020 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 -5.997 1.941 1.686 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 C LIG 1 -5.853 2.040 -1.184 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -5.703 2.160 -2.731 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -5.062 3.542 -2.481 0.00 0.00 +0.001 C ATOM 27 C LIG 1 -4.637 3.012 -1.094 0.00 0.00 +0.004 C ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 2.924 -2.982 -0.663 0.00 0.00 +0.038 C ATOM 29 C LIG 1 3.075 -2.735 -2.148 0.00 0.00 +0.010 C ATOM 30 C LIG 1 4.297 -2.856 -1.287 0.00 0.00 +0.010 C ENDBRANCH 3 28 BRANCH 1 31 ATOM 31 C LIG 1 3.877 0.175 3.008 0.00 0.00 +0.139 C BRANCH 31 39 ATOM 32 C LIG 1 8.274 -0.109 0.670 0.00 0.00 +0.015 C ATOM 33 C LIG 1 7.079 0.755 1.068 0.00 0.00 +0.069 C ATOM 34 C LIG 1 6.353 1.308 -0.154 0.00 0.00 +0.254 C ATOM 35 F LIG 1 7.072 2.350 -0.653 0.00 0.00 -0.205 F ATOM 36 F LIG 1 6.318 0.376 -1.147 0.00 0.00 -0.205 F ATOM 37 C LIG 1 4.925 1.759 0.107 0.00 0.00 +0.091 C ATOM 38 C LIG 1 4.703 2.028 1.587 0.00 0.00 +0.090 C ATOM 39 N LIG 1 5.037 0.885 2.438 0.00 0.00 -0.296 NA ATOM 40 C LIG 1 6.076 -0.015 1.921 0.00 0.00 +0.093 C ENDBRANCH 31 39 ENDBRANCH 1 31 TORSDOF 7