REMARK  Name = BDB018922
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.324   0.696  -1.176  0.00  0.00    -0.299 N 
ATOM      2  C   LIG    1        0.887   0.142  -0.683  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1        2.036   0.931  -0.478  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        3.223   0.351   0.012  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        3.284  -1.006   0.348  0.00  0.00    -0.015 A 
ATOM      6  C   LIG    1        2.134  -1.780   0.186  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        2.040   2.401  -0.811  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.626   2.951  -0.888  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        0.956  -1.212  -0.312  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.214   2.043  -1.772  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  19
ATOM     11  C   LIG    1       -4.448   0.858   0.124  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -3.109   0.811  -0.273  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1       -2.701   0.037  -1.385  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1       -3.668  -0.705  -2.097  0.00  0.00    +0.073 A 
ATOM     15  N   LIG    1       -3.365  -1.475  -3.153  0.00  0.00    -0.255 NA
ATOM     16  C   LIG    1       -2.075  -1.540  -3.543  0.00  0.00    +0.113 A 
ATOM     17  C   LIG    1       -1.050  -0.856  -2.925  0.00  0.00    +0.044 A 
ATOM     18  C   LIG    1       -4.995  -0.634  -1.693  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1       -1.356  -0.048  -1.825  0.00  0.00    +0.045 A 
ATOM     20  C   LIG    1       -5.398   0.139  -0.599  0.00  0.00    +0.015 A 
BRANCH  11  24
ATOM     21  C   LIG    1       -6.268   1.960   3.247  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1       -5.906   1.282   2.028  0.00  0.00    -0.314 N 
ATOM     23  H   LIG    1       -6.236   0.334   1.903  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1       -4.818   1.704   1.291  0.00  0.00    +0.244 C 
ATOM     25  O   LIG    1       -4.153   2.696   1.566  0.00  0.00    -0.270 OA
ENDBRANCH  11  24
ENDBRANCH   1  19
BRANCH   5  26
ATOM     26  C   LIG    1        4.506  -1.606   0.855  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        5.477  -0.951   1.585  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1        6.435  -1.880   1.873  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        7.648  -1.672   2.625  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        6.163  -3.101   1.381  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        4.989  -2.934   0.767  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
TORSDOF 3