REMARK  Name = BDB003320
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.063   1.172  -1.472  0.00  0.00    -0.284 N 
ATOM      2  C   LIG    1       -0.742   0.412  -0.579  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -2.058   0.047  -0.918  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -2.846  -0.686  -0.012  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1       -2.359  -1.052   1.252  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -1.053  -0.684   1.614  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -2.641   0.376  -2.269  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -1.821   1.422  -3.005  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -0.269   0.045   0.695  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.344   1.079  -2.881  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        3.574   0.402  -1.853  0.00  0.00    +0.128 A 
ATOM     12  N   LIG    1        2.223   0.301  -1.960  0.00  0.00    -0.226 NA
ATOM     13  C   LIG    1        1.480   1.268  -1.373  0.00  0.00    +0.134 A 
ATOM     14  C   LIG    1        2.055   2.367  -0.680  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        3.465   2.436  -0.608  0.00  0.00    -0.012 A 
ATOM     16  C   LIG    1        4.081   3.507   0.060  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        3.318   4.511   0.657  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        1.931   4.458   0.594  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        1.306   3.400  -0.067  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        4.230   1.433  -1.204  0.00  0.00    +0.041 A 
BRANCH  11  24
ATOM     21  C   LIG    1        4.146  -2.922  -3.551  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1        3.590  -1.697  -3.049  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        2.587  -1.616  -2.891  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        4.364  -0.709  -2.477  0.00  0.00    +0.262 C 
ATOM     25  O   LIG    1        5.588  -0.721  -2.448  0.00  0.00    -0.269 OA
ENDBRANCH  11  24
ENDBRANCH   1  13
BRANCH   5  26
ATOM     26  C   LIG    1       -3.237  -1.797   2.151  0.00  0.00    +0.093 A 
ATOM     27  N   LIG    1       -3.382  -1.448   3.439  0.00  0.00    -0.171 NA
ATOM     28  N   LIG    1       -4.257  -2.342   3.933  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1       -4.644  -2.285   5.321  0.00  0.00    +0.172 C 
ATOM     30  C   LIG    1       -4.687  -3.248   3.011  0.00  0.00    +0.108 A 
ATOM     31  C   LIG    1       -4.044  -2.923   1.840  0.00  0.00    +0.049 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1       -0.459  -1.075   2.946  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1        0.830  -0.642   3.101  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1       -0.393  -2.428   3.115  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4