REMARK  Name = BDB020949
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.197  -0.463   0.403  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1        3.045   0.421   1.576  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1        2.055   1.575   1.326  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        0.784   1.125   0.752  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.401   1.696   1.184  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -0.427   2.606   2.012  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        0.876   0.061  -0.258  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        2.314  -0.198  -0.742  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1        8.393  -2.246  -1.011  0.00  0.00    +0.045 C 
ATOM     10  C   LIG    1        7.046  -1.754  -0.594  0.00  0.00    -0.032 A 
ATOM     11  C   LIG    1        6.104  -1.348  -1.527  0.00  0.00    +0.116 A 
ATOM     12  N   LIG    1        4.856  -0.924  -1.219  0.00  0.00    -0.240 NA
ATOM     13  C   LIG    1        4.486  -0.887   0.080  0.00  0.00    +0.121 A 
ATOM     14  C   LIG    1        5.369  -1.311   1.074  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1        6.652  -1.747   0.738  0.00  0.00    +0.008 A 
ENDBRANCH   1  13
BRANCH   5  16
ATOM     16  C   LIG    1       -1.678   1.159   0.562  0.00  0.00    +0.103 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.920   1.728   1.241  0.00  0.00    +0.083 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -4.149   1.297   0.485  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1       -4.586   2.156  -0.487  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -4.128   3.043  -0.645  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1       -5.679   1.904  -1.277  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1       -6.058   2.693  -2.134  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1       -6.361   0.624  -1.027  0.00  0.00    +0.065 A 
ATOM     24  C   LIG    1       -5.839  -0.197  -0.022  0.00  0.00    +0.078 A 
ATOM     25  C   LIG    1       -6.468  -1.416   0.235  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1       -7.595  -1.805  -0.497  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -8.104  -0.974  -1.497  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -7.487   0.247  -1.766  0.00  0.00    +0.015 A 
ATOM     29  N   LIG    1       -4.709   0.159   0.734  0.00  0.00    -0.234 NA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   5  16
TORSDOF 4