REMARK  Name = BDB017244
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.515   0.082   0.148  0.00  0.00    +0.082 C 
ATOM      2  C   LIG    1       -2.393  -1.179   0.010  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1       -3.269  -1.157  -1.256  0.00  0.00    +0.024 C 
ATOM      4  C   LIG    1       -3.761   0.251  -1.614  0.00  0.00    +0.085 C 
ATOM      5  N   LIG    1       -3.729   1.153  -0.453  0.00  0.00    -0.301 NA
ATOM      6  C   LIG    1       -2.326   1.380  -0.052  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -1.614  -2.466   0.243  0.00  0.00    -0.044 A 
ATOM      8  C   LIG    1       -1.539  -2.997   1.542  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -0.807  -4.156   1.803  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -0.132  -4.801   0.771  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -0.188  -4.286  -0.521  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -0.922  -3.126  -0.783  0.00  0.00    +0.004 A 
ENDBRANCH   2   7
BRANCH   1  13
ATOM     13  C   LIG    1       -0.339   0.081  -0.826  0.00  0.00    +0.168 C 
ATOM     14  O   LIG    1       -0.488  -0.044  -2.042  0.00  0.00    -0.292 OA
BRANCH  13  20
ATOM     15  C   LIG    1        6.066  -0.050   0.400  0.00  0.00    +0.121 A 
ATOM     16  C   LIG    1        5.018   0.585   1.074  0.00  0.00    +0.054 A 
ATOM     17  C   LIG    1        3.691   0.479   0.626  0.00  0.00    -0.014 A 
ATOM     18  C   LIG    1        3.414  -0.284  -0.529  0.00  0.00    -0.017 A 
ATOM     19  C   LIG    1        2.089  -0.394  -0.980  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        1.043   0.236  -0.293  0.00  0.00    +0.018 A 
ATOM     21  C   LIG    1        1.321   1.002   0.841  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        4.471  -0.918  -1.200  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        2.637   1.119   1.297  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        5.787  -0.802  -0.740  0.00  0.00    +0.046 A 
BRANCH  15  26
ATOM     25  C   LIG    1        8.402  -0.479   0.304  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        7.301   0.144   0.953  0.00  0.00    -0.495 OA
ENDBRANCH  15  26
ENDBRANCH  13  20
ENDBRANCH   1  13
BRANCH   5  27
ATOM     27  C   LIG    1       -4.409   2.416  -0.783  0.00  0.00    +0.088 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.618   3.245   0.451  0.00  0.00    +0.003 C 
ATOM     29  C   LIG    1       -5.091   4.672   0.318  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -3.695   4.389   0.794  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 6