REMARK  Name = BDB057433
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.332   0.825  -0.096  0.00  0.00    +0.136 A 
ATOM      2  C   LIG    1       -0.498   1.950   0.059  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -1.872   1.680   0.121  0.00  0.00    +0.079 A 
ATOM      4  C   LIG    1       -2.765   2.732   0.267  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1       -2.313   4.054   0.363  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -0.949   4.342   0.317  0.00  0.00    +0.033 A 
ATOM      7  N   LIG    1       -2.370   0.446   0.048  0.00  0.00    -0.227 NA
ATOM      8  C   LIG    1       -1.500  -0.571  -0.075  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -0.045   3.292   0.168  0.00  0.00    +0.015 A 
ATOM     10  N   LIG    1       -0.172  -0.418  -0.165  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -2.040  -1.944  -0.134  0.00  0.00    +0.019 A 
ATOM     12  C   LIG    1       -3.426  -2.193  -0.164  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -3.935  -3.495  -0.221  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -3.067  -4.582  -0.247  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -1.692  -4.369  -0.216  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -1.187  -3.066  -0.160  0.00  0.00    +0.011 A 
ENDBRANCH   8  11
BRANCH   5  17
ATOM     17  N   LIG    1       -3.283   5.144   0.517  0.00  0.00    +0.056 N 
ATOM     18  O   LIG    1       -2.841   6.300   0.585  0.00  0.00    -0.126 OA
ATOM     19  O   LIG    1       -4.484   4.846   0.567  0.00  0.00    -0.126 OA
ENDBRANCH   5  17
BRANCH   1  20
ATOM     20  N   LIG    1        1.733   1.010  -0.210  0.00  0.00    -0.282 N 
ATOM     21  H   LIG    1        1.929   1.669  -0.951  0.00  0.00    +0.155 HD
BRANCH  20  27
ATOM     22  C   LIG    1        6.070  -1.374  -0.198  0.00  0.00    +0.065 C 
ATOM     23  C   LIG    1        4.692  -0.885   0.021  0.00  0.00    +0.035 A 
ATOM     24  N   LIG    1        3.837  -1.474   0.909  0.00  0.00    -0.280 N 
ATOM     25  H   LIG    1        4.005  -2.277   1.506  0.00  0.00    +0.189 HD
ATOM     26  N   LIG    1        2.641  -0.879   0.980  0.00  0.00    -0.158 NA
ATOM     27  C   LIG    1        2.698   0.106   0.081  0.00  0.00    +0.146 A 
ATOM     28  C   LIG    1        3.977   0.155  -0.529  0.00  0.00    +0.068 A 
ENDBRANCH  20  27
ENDBRANCH   1  20
TORSDOF 4