REMARK  Name = BDB008873
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.950   1.900  -0.520  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.810   1.216   0.346  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.957   1.848   0.848  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -3.204   3.182   0.482  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -2.351   3.857  -0.397  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.227   3.213  -0.908  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        3.478   0.360  -0.338  0.00  0.00    +0.092 C 
ATOM      8  C   LIG    1        2.658   1.070  -1.424  0.00  0.00    +0.120 C 
ATOM      9  N   LIG    1        1.493   1.724  -0.829  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1        0.228   1.190  -1.064  0.00  0.00    +0.247 C 
ATOM     11  O   LIG    1        0.026   0.153  -1.691  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1        1.772   2.733   0.193  0.00  0.00    +0.108 C 
ATOM     13  C   LIG    1        3.229   2.709   0.657  0.00  0.00    +0.020 C 
ATOM     14  C   LIG    1        3.711   1.274   0.887  0.00  0.00    +0.016 C 
BRANCH   7  16
ATOM     15  N   LIG    1        5.486  -1.141  -0.269  0.00  0.00    -0.302 N 
ATOM     16  C   LIG    1        4.811  -0.109  -0.918  0.00  0.00    +0.220 C 
ATOM     17  O   LIG    1        5.296   0.456  -1.902  0.00  0.00    -0.275 OA
BRANCH  15  19
ATOM     18  C   LIG    1        4.196  -3.135   0.425  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1        4.971  -1.904   0.871  0.00  0.00    +0.104 C 
ENDBRANCH  15  19
BRANCH  15  20
ATOM     20  C   LIG    1        6.782  -1.557  -0.806  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1        7.923  -0.771  -0.180  0.00  0.00    +0.024 C 
ENDBRANCH  15  20
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   3  22
ATOM     22  C   LIG    1       -3.897   1.156   1.810  0.00  0.00    +0.092 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.067  -0.341   1.571  0.00  0.00    +0.069 A 
ATOM     24  C   LIG    1       -4.975  -0.818   0.481  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1       -5.697   0.158  -0.405  0.00  0.00    +0.037 C 
ATOM     26  C   LIG    1       -6.323  -0.491  -1.643  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -7.003  -1.809  -1.292  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -6.007  -2.791  -0.674  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1       -5.105  -2.149   0.343  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1       -4.344  -3.067   1.227  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1       -4.432  -4.287   1.125  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -3.542  -2.470   2.162  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1       -3.014  -3.082   2.775  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1       -3.397  -1.133   2.355  0.00  0.00    -0.175 NA
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 6