REMARK  Name = BDB021934
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.355  -1.251   0.589  0.00  0.00    -0.269 N 
ATOM      2  H   LIG    1       -2.113  -2.040   1.168  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1       -1.303  -0.696  -0.106  0.00  0.00    +0.304 C 
ATOM      4  N   LIG    1       -0.098  -1.137   0.414  0.00  0.00    -0.296 N 
ATOM      5  H   LIG    1       -0.111  -1.318   1.407  0.00  0.00    +0.151 HD
ATOM      6  O   LIG    1       -1.370   0.064  -1.062  0.00  0.00    -0.253 OA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -5.616   0.269  -0.466  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1       -4.236   0.051  -0.363  0.00  0.00    +0.069 A 
ATOM      9  C   LIG    1       -3.729  -0.982   0.429  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1       -4.625  -1.796   1.132  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -6.002  -1.585   1.034  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -6.498  -0.554   0.235  0.00  0.00    +0.046 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -7.360   1.563  -1.440  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -5.971   1.316  -1.274  0.00  0.00    -0.495 OA
ENDBRANCH   7  14
ENDBRANCH   1   9
BRANCH   4  15
ATOM     15  C   LIG    1        1.164  -0.633  -0.120  0.00  0.00    +0.077 C 
ATOM     16  C   LIG    1        2.305  -1.579   0.234  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        3.644  -1.032  -0.260  0.00  0.00    +0.086 C 
ATOM     18  N   LIG    1        3.932   0.313   0.277  0.00  0.00    -0.300 NA
ATOM     19  C   LIG    1        2.842   1.243  -0.083  0.00  0.00    +0.086 C 
ATOM     20  C   LIG    1        1.478   0.763   0.412  0.00  0.00    +0.038 C 
BRANCH  18  21
ATOM     21  C   LIG    1        5.258   0.817  -0.180  0.00  0.00    +0.050 C 
ATOM     22  C   LIG    1        6.409  -0.126   0.213  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1        5.588   2.203   0.403  0.00  0.00    +0.024 C 
ENDBRANCH  18  21
ENDBRANCH   4  15
TORSDOF 4