REMARK  Name = BDB045659
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.217   0.098  -0.278  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -3.925  -0.210   0.193  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -3.791  -1.034   1.305  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -2.437  -1.132   1.498  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1       -1.990  -1.645   2.243  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -1.789  -0.397   0.531  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -4.875  -1.581   1.996  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -6.151  -1.267   1.518  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -2.677   0.176  -0.264  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -6.323  -0.444   0.402  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -0.332  -0.263   0.428  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        0.553  -1.126   1.086  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        1.940  -0.961   0.961  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        2.485   0.066   0.174  0.00  0.00    -0.016 A 
ATOM     15  C   LIG    1        1.593   0.922  -0.487  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        0.208   0.759  -0.363  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  C   LIG    1        3.939   0.234   0.044  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        4.782   0.281   1.153  0.00  0.00    +0.121 A 
ATOM     19  N   LIG    1        6.129   0.425   1.101  0.00  0.00    -0.240 NA
ATOM     20  C   LIG    1        6.697   0.536  -0.107  0.00  0.00    +0.116 A 
ATOM     21  C   LIG    1        5.950   0.506  -1.279  0.00  0.00    +0.044 A 
ATOM     22  C   LIG    1        4.564   0.354  -1.200  0.00  0.00    +0.013 A 
BRANCH  20  23
ATOM     23  N   LIG    1        8.085   0.686  -0.163  0.00  0.00    -0.343 N 
ATOM     24  H   LIG    1        8.314   1.562  -0.623  0.00  0.00    +0.144 HD
ATOM     25  H   LIG    1        8.490  -0.072  -0.702  0.00  0.00    +0.144 HD
ENDBRANCH  20  23
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  29
ATOM     26  N   LIG    1       -4.340   1.461  -2.093  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1       -4.464   2.049  -2.903  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1       -3.402   1.236  -1.769  0.00  0.00    +0.145 HD
ATOM     29  C   LIG    1       -5.442   0.965  -1.458  0.00  0.00    +0.244 C 
ATOM     30  O   LIG    1       -6.571   1.229  -1.853  0.00  0.00    -0.270 OA
ENDBRANCH   1  29
TORSDOF 4