REMARK  Name = BDB052416
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.220   1.784  -2.016  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1        3.074   1.043  -1.119  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1        2.703   0.122  -0.184  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        1.392  -0.373   0.187  0.00  0.00    +0.097 A 
ATOM      5  C   LIG    1        1.347  -1.470   1.034  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1        2.598  -2.195   1.470  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1        3.873  -1.312   1.510  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        0.081  -1.885   1.350  0.00  0.00    +0.120 A 
ATOM      9  N   LIG    1       -1.030  -1.267   0.904  0.00  0.00    -0.222 NA
ATOM     10  C   LIG    1       -0.881  -0.201   0.099  0.00  0.00    +0.220 A 
ATOM     11  N   LIG    1        0.315   0.273  -0.286  0.00  0.00    -0.212 NA
ATOM     12  C   LIG    1        3.874  -0.314   0.404  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        4.915   0.404  -0.232  0.00  0.00    +0.151 A 
ATOM     14  N   LIG    1        4.413   1.233  -1.176  0.00  0.00    -0.166 NA
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1        6.359   0.329   0.038  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1        6.863  -0.391   0.894  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1        7.118   1.144  -0.753  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1        8.115   1.188  -0.621  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        6.644   1.740  -1.422  0.00  0.00    +0.145 HD
ENDBRANCH  13  15
BRANCH  10  20
ATOM     20  N   LIG    1       -1.974   0.500  -0.404  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1       -1.639   1.270  -0.962  0.00  0.00    +0.155 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.359   0.380  -0.259  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1       -3.983  -0.610   0.505  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1       -5.379  -0.682   0.607  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1       -6.193   0.245  -0.055  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1       -5.580   1.233  -0.833  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1       -4.185   1.297  -0.928  0.00  0.00    +0.024 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -7.696   0.155   0.035  0.00  0.00    +0.417 C 
ATOM     29  F   LIG    1       -8.133  -0.384   1.208  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -8.229  -0.615  -0.952  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1       -8.310   1.368  -0.065  0.00  0.00    -0.166 F 
ENDBRANCH  25  28
ENDBRANCH  20  22
ENDBRANCH  10  20
TORSDOF 4