REMARK  Name = BDB021935
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.959   0.620   0.714  0.00  0.00    -0.269 N 
ATOM      2  H   LIG    1        1.776   1.070   1.598  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1        0.895  -0.074   0.180  0.00  0.00    +0.304 C 
ATOM      4  N   LIG    1       -0.278   0.272   0.828  0.00  0.00    -0.296 N 
ATOM      5  H   LIG    1       -0.310   1.223   1.163  0.00  0.00    +0.151 HD
ATOM      6  O   LIG    1        0.932  -0.899  -0.722  0.00  0.00    -0.253 OA
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        6.016   0.710  -0.476  0.00  0.00    -0.048 A 
ATOM      8  C   LIG    1        5.078   0.042  -1.270  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1        3.729  -0.002  -0.898  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1        3.298   0.612   0.278  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1        4.237   1.280   1.073  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1        5.585   1.325   0.703  0.00  0.00    +0.005 A 
BRANCH   7  14
ATOM     13  C   LIG    1        8.236  -0.444  -0.299  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1        7.470   0.740  -0.870  0.00  0.00    +0.032 C 
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   4  15
ATOM     15  C   LIG    1       -1.556  -0.287   0.394  0.00  0.00    +0.077 C 
ATOM     16  C   LIG    1       -2.589  -0.181   1.514  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1       -3.954  -0.687   1.048  0.00  0.00    +0.086 C 
ATOM     18  N   LIG    1       -4.405   0.053  -0.137  0.00  0.00    -0.300 NA
ATOM     19  C   LIG    1       -3.456  -0.107  -1.250  0.00  0.00    +0.086 C 
ATOM     20  C   LIG    1       -2.071   0.413  -0.866  0.00  0.00    +0.038 C 
BRANCH  18  21
ATOM     21  C   LIG    1       -5.793  -0.240  -0.552  0.00  0.00    +0.050 C 
ATOM     22  C   LIG    1       -6.119  -1.723  -0.767  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1       -6.793   0.380   0.433  0.00  0.00    +0.024 C 
ENDBRANCH  18  21
ENDBRANCH   4  15
TORSDOF 4