REMARK  Name = BDB043082
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.199   0.537   0.170  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1       -1.886   0.409  -0.619  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1       -1.717  -0.516  -1.418  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -0.913   1.355  -0.362  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -1.108   2.615   0.356  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1        0.306   3.196   0.432  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1        0.952   2.743  -0.879  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1        2.480   2.729  -0.807  0.00  0.00    +0.021 C 
ATOM      9  C   LIG    1        3.065   1.667  -1.735  0.00  0.00    +0.085 C 
ATOM     10  N   LIG    1        2.590   0.312  -1.444  0.00  0.00    -0.300 NA
ATOM     11  C   LIG    1        1.314   0.235  -0.718  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1       -1.759   2.530   1.747  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1       -1.866   1.118   2.315  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        0.337   1.355  -1.128  0.00  0.00    +0.094 C 
ATOM     15  C   LIG    1       -2.975   0.286   1.665  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1       -5.503  -0.281  -0.263  0.00  0.00    +0.230 C 
ATOM     17  N   LIG    1       -4.144  -0.432  -0.380  0.00  0.00    -0.303 N 
ATOM     18  H   LIG    1       -3.748  -1.117  -1.018  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1       -6.002   0.621   0.412  0.00  0.00    -0.274 OA
BRANCH  16  20
ATOM     20  C   LIG    1       -6.363  -1.374  -0.952  0.00  0.00    +0.137 C 
ATOM     21  C   LIG    1       -5.972  -1.585  -2.412  0.00  0.00    +0.034 C 
BRANCH  20  23
ATOM     22  C   LIG    1       -8.672  -2.084  -0.660  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1       -7.784  -0.957  -0.901  0.00  0.00    -0.309 NA
ATOM     24  H   LIG    1       -7.879  -0.283  -0.132  0.00  0.00    +0.122 HD
ENDBRANCH  20  23
ENDBRANCH  16  20
ENDBRANCH   1  17
BRANCH  10  25
ATOM     25  C   LIG    1        3.616  -0.596  -0.910  0.00  0.00    +0.090 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.242  -0.201   0.440  0.00  0.00    +0.069 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.250  -1.208   0.906  0.00  0.00    +0.048 C 
ATOM     28  N   LIG    1        6.596  -1.153   0.589  0.00  0.00    -0.301 N 
ATOM     29  C   LIG    1        7.184  -0.547  -0.584  0.00  0.00    +0.132 C 
ATOM     30  C   LIG    1        7.229  -2.344   1.144  0.00  0.00    +0.338 C 
ATOM     31  O   LIG    1        6.228  -3.009   1.954  0.00  0.00    -0.476 OA
ATOM     32  C   LIG    1        5.061  -2.260   1.713  0.00  0.00    +0.114 C 
ATOM     33  C   LIG    1        3.814  -2.756   2.352  0.00  0.00    +0.087 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 6