REMARK  Name = BDB012298
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.344   2.110   2.160  0.00  0.00    +0.064 A 
ATOM      2  N   LIG    1        0.803   1.603   1.704  0.00  0.00    -0.169 NA
ATOM      3  N   LIG    1        0.439   0.622   0.822  0.00  0.00    -0.214 N 
ATOM      4  C   LIG    1       -0.949   0.512   0.738  0.00  0.00    +0.077 A 
ATOM      5  C   LIG    1       -1.458   1.470   1.593  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.695  -0.427  -0.091  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.148  -0.043  -1.357  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -2.889  -0.932  -2.140  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -3.201  -2.210  -1.661  0.00  0.00    -0.050 A 
ATOM     10  C   LIG    1       -3.965  -3.177  -2.516  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -2.740  -2.594  -0.396  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -1.999  -1.705   0.388  0.00  0.00    +0.010 A 
ENDBRANCH   4   6
BRANCH   3  13
ATOM     13  C   LIG    1        1.446  -0.131   0.125  0.00  0.00    +0.155 A 
ATOM     14  N   LIG    1        1.069  -1.094  -0.754  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        2.032  -1.786  -1.398  0.00  0.00    +0.114 A 
ATOM     16  C   LIG    1        3.381  -1.569  -1.212  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1        3.762  -0.579  -0.309  0.00  0.00    +0.064 A 
ATOM     18  C   LIG    1        2.787   0.153   0.372  0.00  0.00    +0.063 A 
BRANCH  17  19
ATOM     19  C   LIG    1        5.186  -0.273  -0.042  0.00  0.00    +0.337 C 
ATOM     20  O   LIG    1        5.604   0.571   0.728  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1        6.025  -1.043  -0.757  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1        6.914  -0.734  -0.482  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   3  13
BRANCH   1  24
ATOM     23  C   LIG    1       -0.294   4.590   2.487  0.00  0.00    +0.010 C 
ATOM     24  C   LIG    1       -0.334   3.223   3.152  0.00  0.00    +0.054 C 
ENDBRANCH   1  24
TORSDOF 5