REMARK  Name = BDB012603
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.386   0.818  -0.854  0.00  0.00    -0.329 N 
ATOM      2  C   LIG    1       -0.514  -0.212  -1.073  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        0.679   0.186  -0.505  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.545   1.443   0.051  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.703   1.788  -0.168  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        1.910  -0.593  -0.487  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        1.883  -1.807  -1.094  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        3.023  -2.526  -1.076  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        4.197  -2.097  -0.481  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        4.216  -0.847   0.142  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        3.046  -0.084   0.135  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.437  -0.379   0.773  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        6.609  -1.095   0.790  0.00  0.00    -0.130 NA
ATOM     14  N   LIG    1        7.522  -0.387   1.443  0.00  0.00    -0.068 NA
ATOM     15  N   LIG    1        6.938   0.754   1.832  0.00  0.00    -0.264 N 
ATOM     16  H   LIG    1        7.487   1.430   2.352  0.00  0.00    +0.190 HD
ATOM     17  C   LIG    1        5.635   0.810   1.438  0.00  0.00    +0.135 A 
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  19
ATOM     18  C   LIG    1       -3.113   0.146  -2.554  0.00  0.00    +0.036 C 
ATOM     19  C   LIG    1       -2.783   0.923  -1.274  0.00  0.00    +0.115 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.719   0.556  -0.133  0.00  0.00    -0.025 A 
ATOM     21  C   LIG    1       -4.627   1.507   0.361  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -5.498   1.186   1.404  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.475  -0.088   1.966  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.582  -1.043   1.487  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.710  -0.725   0.444  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 4