REMARK  Name = BDB023005
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.329   3.692   2.780  0.00  0.00    +0.105 C 
ATOM      2  N   LIG    1        3.489   2.260   2.545  0.00  0.00    -0.302 NA
ATOM      3  C   LIG    1        4.097   2.010   1.218  0.00  0.00    +0.111 C 
ATOM      4  C   LIG    1        3.939   0.536   0.734  0.00  0.00    +0.122 C 
ATOM      5  N   LIG    1        2.523   0.120   0.679  0.00  0.00    -0.276 N 
ATOM      6  C   LIG    1        2.269  -1.248   0.672  0.00  0.00    +0.306 C 
ATOM      7  N   LIG    1        1.012  -1.626   0.209  0.00  0.00    -0.274 N 
ATOM      8  C   LIG    1        0.463  -2.996   0.485  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        1.341  -4.099  -0.139  0.00  0.00    +0.032 C 
ATOM     10  C   LIG    1        0.374  -3.213   2.013  0.00  0.00    +0.032 C 
ATOM     11  C   LIG    1       -0.986  -3.182  -0.102  0.00  0.00    +0.064 C 
ATOM     12  C   LIG    1       -1.779  -1.914  -0.110  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1       -1.156  -0.739  -0.478  0.00  0.00    +0.067 A 
ATOM     14  N   LIG    1       -1.792   0.448  -0.540  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1       -3.093   0.456  -0.221  0.00  0.00    +0.216 A 
ATOM     16  N   LIG    1       -3.784  -0.640   0.127  0.00  0.00    -0.223 NA
ATOM     17  C   LIG    1       -3.115  -1.808   0.176  0.00  0.00    +0.120 A 
ATOM     18  C   LIG    1        0.314  -0.822  -0.804  0.00  0.00    +0.165 C 
ATOM     19  O   LIG    1        3.103  -2.061   1.067  0.00  0.00    -0.252 OA
ATOM     20  C   LIG    1        1.596   0.995   1.414  0.00  0.00    +0.125 C 
ATOM     21  C   LIG    1        2.221   1.522   2.721  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4  22
ATOM     22  C   LIG    1        4.598   0.350  -0.628  0.00  0.00    -0.026 A 
ATOM     23  C   LIG    1        4.102   0.992  -1.775  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        4.719   0.814  -3.014  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.835  -0.012  -3.124  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.332  -0.664  -1.998  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.716  -0.487  -0.758  0.00  0.00    +0.005 A 
ENDBRANCH   4  22
BRANCH  15  28
ATOM     28  N   LIG    1       -3.700   1.694  -0.282  0.00  0.00    -0.310 N 
ATOM     29  H   LIG    1       -3.079   2.289  -0.820  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -5.119   1.821  -0.601  0.00  0.00    +0.077 C 
ATOM     31  C   LIG    1       -5.513   1.122  -1.902  0.00  0.00    +0.050 C 
ATOM     32  C   LIG    1       -6.992   1.350  -2.208  0.00  0.00    +0.161 C 
ATOM     33  O   LIG    1       -7.800   1.543  -1.046  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -7.327   0.821   0.088  0.00  0.00    +0.161 C 
ATOM     35  C   LIG    1       -6.023   1.436   0.576  0.00  0.00    +0.050 C 
ENDBRANCH  28  30
ENDBRANCH  15  28
TORSDOF 3