REMARK  Name = BDB004680
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.278  -1.681  -1.414  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        2.600  -1.055  -0.346  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        1.270  -0.648  -0.571  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.604  -0.037   0.513  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1        1.208   0.189   1.688  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        2.469  -0.224   1.801  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        0.666  -0.849  -1.838  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        1.353  -1.463  -2.876  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        3.185  -0.839   0.853  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        2.656  -1.882  -2.661  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        5.349  -2.023  -0.130  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        4.903  -1.566   0.660  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        6.306  -2.334  -0.059  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        4.689  -2.172  -1.314  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        5.255  -2.700  -2.266  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1       -0.736   0.380   0.356  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -1.290  -0.414   0.044  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.339   0.982   1.544  0.00  0.00    +0.141 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.745   1.417   1.218  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -3.834   0.906   1.929  0.00  0.00    +0.128 A 
ATOM     21  F   LIG    1       -3.638   0.008   2.904  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -5.137   1.309   1.646  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1       -5.369   2.242   0.637  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1       -4.296   2.767  -0.083  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -2.991   2.359   0.206  0.00  0.00    +0.008 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 4