REMARK  Name = BDB017075
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.429   0.175   0.886  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1        0.847  -0.072   0.458  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.576   1.045   0.822  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.754   1.944   1.474  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.435   1.389   1.506  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.998   1.275   0.567  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        3.427   2.556   0.677  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.731   2.809   0.450  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        5.651   1.837   0.109  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        5.210   0.518  -0.005  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        3.859   0.236   0.230  0.00  0.00    +0.041 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.141  -0.542  -0.359  0.00  0.00    +0.204 A 
ATOM     13  N   LIG    1        5.809  -1.839  -0.501  0.00  0.00    -0.133 NA
ATOM     14  N   LIG    1        7.006  -2.355  -0.819  0.00  0.00    -0.176 N 
ATOM     15  H   LIG    1        7.139  -3.346  -1.000  0.00  0.00    +0.214 HD
ATOM     16  N   LIG    1        8.022  -1.489  -0.884  0.00  0.00    -0.049 NA
ATOM     17  N   LIG    1        7.479  -0.317  -0.590  0.00  0.00    -0.108 NA
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -1.568  -0.712   0.741  0.00  0.00    +0.127 C 
BRANCH  18  23
ATOM     19  C   LIG    1       -6.733  -0.646  -0.032  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -5.698  -1.568  -0.205  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -4.445  -1.089  -0.545  0.00  0.00    -0.044 A 
ATOM     22  C   LIG    1       -3.198  -1.873  -0.815  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -2.110  -0.779  -0.701  0.00  0.00    +0.017 C 
ATOM     24  C   LIG    1       -2.801   0.536  -1.132  0.00  0.00    +0.041 C 
ATOM     25  C   LIG    1       -4.219   0.279  -0.725  0.00  0.00    -0.044 A 
ATOM     26  C   LIG    1       -5.240   1.199  -0.567  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -6.505   0.727  -0.211  0.00  0.00    +0.000 A 
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 4