REMARK  Name = BDB003296
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.452  -1.904  -0.049  0.00  0.00    -0.284 N 
ATOM      2  C   LIG    1       -0.460  -0.851  -0.309  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -1.817  -0.927   0.046  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -2.692   0.124  -0.277  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.235   1.280  -0.925  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -0.881   1.382  -1.276  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -2.356  -2.127   0.779  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -1.235  -2.863   1.496  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -0.017   0.315  -0.961  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.117  -3.147   0.504  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        3.293  -0.536   1.709  0.00  0.00    +0.128 A 
ATOM     12  N   LIG    1        2.018  -0.725   1.281  0.00  0.00    -0.226 NA
ATOM     13  C   LIG    1        1.794  -1.693   0.363  0.00  0.00    +0.136 A 
ATOM     14  C   LIG    1        2.850  -2.476  -0.173  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1        4.159  -2.258   0.302  0.00  0.00    -0.010 A 
ATOM     16  C   LIG    1        5.216  -3.025  -0.203  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1        4.947  -3.977  -1.172  0.00  0.00    +0.111 A 
ATOM     18  N   LIG    1        3.717  -4.207  -1.670  0.00  0.00    -0.263 NA
ATOM     19  C   LIG    1        2.709  -3.450  -1.173  0.00  0.00    +0.122 A 
ATOM     20  C   LIG    1        4.379  -1.271   1.264  0.00  0.00    +0.041 A 
BRANCH  11  24
ATOM     21  C   LIG    1        2.302   2.361   3.927  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1        2.328   1.211   3.065  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        1.493   0.941   2.549  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        3.487   0.551   2.722  0.00  0.00    +0.262 C 
ATOM     25  O   LIG    1        4.595   0.808   3.179  0.00  0.00    -0.269 OA
ENDBRANCH  11  24
ENDBRANCH   1  13
BRANCH   5  26
ATOM     26  C   LIG    1       -3.183   2.337  -1.206  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -4.280   2.197  -2.029  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1       -4.902   3.412  -2.037  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1       -6.087   3.777  -2.773  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1       -4.289   4.332  -1.272  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -3.245   3.675  -0.760  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1       -0.322   2.597  -1.970  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1       -0.185   3.659  -1.125  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1        0.922   2.393  -2.497  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4