REMARK  Name = BDB007561
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.540   1.607  -0.185  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        0.879   1.710  -1.390  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        1.399   1.470  -2.224  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.139   2.137   0.845  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  C   LIG    1        8.561  -1.881   0.828  0.00  0.00    +0.065 C 
ATOM      6  C   LIG    1        7.303  -1.065   0.851  0.00  0.00    +0.039 A 
ATOM      7  N   LIG    1        6.363  -1.350  -0.083  0.00  0.00    -0.252 NA
ATOM      8  C   LIG    1        5.224  -0.638  -0.087  0.00  0.00    +0.071 A 
ATOM      9  C   LIG    1        4.973   0.394   0.839  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        3.765   1.113   0.792  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1        2.803   0.820  -0.179  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        3.041  -0.214  -1.087  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        5.958   0.670   1.794  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        4.247  -0.924  -1.032  0.00  0.00    +0.029 A 
ATOM     15  C   LIG    1        7.137  -0.067   1.801  0.00  0.00    +0.023 A 
ENDBRANCH   1  11
BRANCH   2  16
ATOM     16  C   LIG    1       -0.265   2.596  -1.589  0.00  0.00    +0.137 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.522   2.299  -0.737  0.00  0.00    +0.145 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -1.369   2.866   0.571  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -0.481   2.600   0.898  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -1.842   0.787  -0.654  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.268   0.455  -0.422  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -3.439  -1.013  -0.465  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -4.830  -1.486  -0.102  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -5.694  -0.670   0.647  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -6.964  -1.143   1.004  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -7.365  -2.428   0.641  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.504  -3.247  -0.084  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.278   0.732   1.004  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -5.241  -2.781  -0.451  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -3.765   0.966   0.866  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 6