REMARK  Name = BDB052246
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.527   0.100  -0.452  0.00  0.00    +0.139 A 
ATOM      2  N   LIG    1        3.075   0.103  -1.714  0.00  0.00    -0.338 N 
ATOM      3  H   LIG    1        2.556   0.096  -2.578  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        4.443   0.131  -1.609  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1        4.684   0.175  -0.238  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1        6.018   0.216   0.206  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        7.057   0.209  -0.745  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        6.773   0.165  -2.111  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        5.454   0.127  -2.574  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        3.492   0.138   0.448  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -1.676   0.045   0.479  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1       -1.241  -0.194  -0.831  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        0.123  -0.182  -1.151  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.088   0.075  -0.167  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        0.649   0.314   1.142  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -0.713   0.303   1.462  0.00  0.00    +0.004 A 
BRANCH  11  21
ATOM     17  C   LIG    1       -7.379  -0.025   0.911  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1       -5.924   0.066   0.991  0.00  0.00    -0.305 NA
ATOM     19  C   LIG    1       -5.308  -1.270   0.967  0.00  0.00    +0.084 C 
ATOM     20  C   LIG    1       -3.852  -1.271   0.481  0.00  0.00    +0.023 C 
ATOM     21  C   LIG    1       -3.148   0.041   0.849  0.00  0.00    +0.021 C 
ATOM     22  C   LIG    1       -3.899   1.244   0.245  0.00  0.00    +0.023 C 
ATOM     23  C   LIG    1       -5.376   0.943  -0.041  0.00  0.00    +0.084 C 
ENDBRANCH  11  21
ENDBRANCH   1  14
BRANCH   6  24
ATOM     24  C   LIG    1        6.329   0.285   1.646  0.00  0.00    +0.244 C 
ATOM     25  O   LIG    1        5.762   1.044   2.418  0.00  0.00    -0.270 OA
ATOM     26  N   LIG    1        7.321  -0.554   2.083  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1        7.595  -1.361   1.539  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1        7.424  -0.611   3.088  0.00  0.00    +0.145 HD
ENDBRANCH   6  24
TORSDOF 3