REMARK  Name = BDB039091
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.544   0.007  -0.069  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        5.331   0.670  -0.117  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        4.123  -0.146  -0.064  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.847   0.628   0.148  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        2.834   2.040   0.233  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        1.638   2.733   0.466  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.416   2.064   0.582  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.434   0.670   0.456  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -0.555  -0.297   0.476  0.00  0.00    -0.327 N 
ATOM     10  C   LIG    1        0.065  -1.535   0.446  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        1.359  -1.386   0.236  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        4.132   2.803   0.140  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.611  -0.041   0.264  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        5.190   2.024  -0.637  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        6.663  -1.191   0.161  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -0.556  -2.884   0.658  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -1.489  -3.358  -0.453  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1       -2.371  -4.383   0.243  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1       -2.637  -3.752   1.601  0.00  0.00    +0.001 C 
ATOM     20  C   LIG    1       -1.329  -3.053   1.974  0.00  0.00    +0.011 C 
ENDBRANCH  10  16
BRANCH   1  22
ATOM     21  C   LIG    1        8.872   0.183  -0.255  0.00  0.00    +0.282 C 
ATOM     22  O   LIG    1        7.602   0.832  -0.305  0.00  0.00    -0.454 OA
ENDBRANCH   1  22
BRANCH   9  23
ATOM     23  C   LIG    1       -1.976  -0.010   0.576  0.00  0.00    +0.132 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.573   0.785  -0.612  0.00  0.00    +0.049 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.020   1.150  -0.297  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -4.370   2.497  -0.110  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -5.685   2.857   0.186  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.668   1.877   0.301  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.336   0.536   0.118  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.021   0.173  -0.179  0.00  0.00    +0.004 A 
ENDBRANCH  24  25
BRANCH  24  31
ATOM     31  C   LIG    1       -2.445   0.043  -1.953  0.00  0.00    +0.130 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -2.871   0.879  -3.128  0.00  0.00    +0.305 C 
ATOM     33  O   LIG    1       -3.626   0.525  -4.019  0.00  0.00    -0.251 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -2.277   2.086  -3.176  0.00  0.00    -0.481 OA
ATOM     35  H   LIG    1       -2.625   2.484  -4.002  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH  24  31
ENDBRANCH  23  24
ENDBRANCH   9  23
TORSDOF 8