REMARK  Name = BDB039144
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.345  -0.318  -0.505  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        5.147  -0.901  -0.878  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.921  -0.258  -0.418  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.661  -0.763  -1.073  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        2.677  -1.826  -2.007  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        1.492  -2.265  -2.615  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.255  -1.694  -2.304  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.249  -0.659  -1.363  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -0.755   0.114  -0.816  0.00  0.00    -0.327 N 
ATOM     10  C   LIG    1       -0.178   1.005   0.067  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        1.126   0.820   0.121  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        3.992  -2.454  -2.397  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.410  -0.195  -0.756  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        5.042  -2.292  -1.301  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        6.436   0.770   0.051  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -0.926   2.037   0.867  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -0.378   3.445   0.582  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1       -1.092   4.502   1.421  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1       -1.029   4.176   2.910  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -1.561   2.776   3.204  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1       -0.847   1.716   2.367  0.00  0.00    +0.011 C 
ENDBRANCH  10  16
BRANCH   1  23
ATOM     22  C   LIG    1        8.679  -0.512  -0.462  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        7.423  -1.087  -0.825  0.00  0.00    -0.454 OA
ENDBRANCH   1  23
BRANCH   9  24
ATOM     24  C   LIG    1       -2.164   0.022  -1.160  0.00  0.00    +0.128 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.030  -0.708  -0.111  0.00  0.00    +0.022 C 
ATOM     26  C   LIG    1       -4.532  -0.589  -0.491  0.00  0.00    +0.102 C 
ATOM     27  C   LIG    1       -5.407  -1.694   0.128  0.00  0.00    +0.015 C 
ATOM     28  C   LIG    1       -4.803  -2.257   1.408  0.00  0.00    +0.001 C 
ATOM     29  C   LIG    1       -3.428  -2.873   1.159  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -2.641  -2.186   0.041  0.00  0.00    +0.006 C 
BRANCH  26  31
ATOM     31  C   LIG    1       -5.080   0.772  -0.104  0.00  0.00    +0.308 C 
ATOM     32  O   LIG    1       -4.594   1.564   0.684  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -6.216   1.071  -0.762  0.00  0.00    -0.480 OA
ATOM     34  H   LIG    1       -6.470   1.957  -0.424  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  26  31
ENDBRANCH  24  25
ENDBRANCH   9  24
TORSDOF 6