REMARK  Name = BDB045832
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.683  -0.035  -0.358  0.00  0.00    +0.190 C 
ATOM      2  N   LIG    1        2.414   0.413   0.823  0.00  0.00    -0.322 N 
ATOM      3  H   LIG    1        2.187  -0.234   1.577  0.00  0.00    +0.148 HD
ATOM      4  C   LIG    1        3.817   0.325   0.627  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        4.377  -0.687  -0.167  0.00  0.00    +0.058 A 
ATOM      6  C   LIG    1        5.760  -0.828  -0.295  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1        6.600   0.040   0.401  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        6.056   1.025   1.230  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        3.446  -1.635  -0.815  0.00  0.00    +0.247 C 
ATOM     10  O   LIG    1        3.831  -2.601  -1.460  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        4.669   1.155   1.356  0.00  0.00    +0.024 A 
ATOM     12  N   LIG    1        2.111  -1.379  -0.619  0.00  0.00    -0.289 N 
ATOM     13  H   LIG    1        1.507  -1.976  -1.165  0.00  0.00    +0.151 HD
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1       -2.678   0.155   0.032  0.00  0.00    -0.042 A 
ATOM     15  C   LIG    1       -2.048  -0.221  -1.167  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -0.653  -0.275  -1.276  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1        0.175   0.040  -0.186  0.00  0.00    -0.009 A 
ATOM     18  C   LIG    1       -0.449   0.428   1.006  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1       -1.847   0.482   1.113  0.00  0.00    +0.004 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -4.759   1.215  -0.912  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -4.213   0.202   0.118  0.00  0.00    -0.013 C 
ATOM     22  C   LIG    1       -4.749   0.625   1.504  0.00  0.00    +0.015 C 
ATOM     23  C   LIG    1       -4.795  -1.195  -0.188  0.00  0.00    +0.015 C 
ENDBRANCH  14  21
ENDBRANCH   1  17
TORSDOF 2