REMARK  Name = BDB018125
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.783   0.018   0.808  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.154   1.191   1.089  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -1.446   0.868   1.497  0.00  0.00    -0.301 N 
ATOM      4  C   LIG    1       -1.921  -0.503   1.691  0.00  0.00    +0.108 C 
ATOM      5  C   LIG    1       -3.267  -0.561   2.407  0.00  0.00    +0.030 C 
ATOM      6  C   LIG    1       -4.339   0.285   1.699  0.00  0.00    +0.063 C 
ATOM      7  C   LIG    1       -3.768   1.587   1.114  0.00  0.00    +0.030 C 
ATOM      8  C   LIG    1       -2.409   1.946   1.704  0.00  0.00    +0.108 C 
ATOM      9  O   LIG    1        0.213   2.356   0.944  0.00  0.00    -0.276 OA
BRANCH   6  10
ATOM     10  C   LIG    1       -5.027  -0.520   0.592  0.00  0.00    +0.169 C 
ATOM     11  O   LIG    1       -4.463  -1.481   0.068  0.00  0.00    -0.292 OA
BRANCH  10  12
ATOM     12  C   LIG    1       -6.359  -0.115   0.159  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -7.100  -0.715  -0.842  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1       -8.274  -0.029  -0.923  0.00  0.00    -0.274 N 
ATOM     15  C   LIG    1       -9.370  -0.281  -1.827  0.00  0.00    +0.172 C 
ATOM     16  N   LIG    1       -8.360   0.982  -0.040  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1       -7.197   0.928   0.614  0.00  0.00    +0.145 A 
ENDBRANCH  10  12
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  19
ATOM     18  C   LIG    1        3.021   0.954   1.527  0.00  0.00    +0.008 C 
ATOM     19  C   LIG    1        2.191   0.446   0.340  0.00  0.00    +0.000 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.881  -0.748  -0.357  0.00  0.00    +0.057 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.240  -0.436  -0.937  0.00  0.00    +0.020 A 
ATOM     22  N   LIG    1        4.280   0.426  -2.010  0.00  0.00    -0.326 N 
ATOM     23  H   LIG    1        3.423   0.835  -2.365  0.00  0.00    +0.169 HD
ATOM     24  C   LIG    1        5.425   0.813  -2.673  0.00  0.00    +0.257 A 
ATOM     25  O   LIG    1        5.391   1.584  -3.626  0.00  0.00    -0.267 OA
ATOM     26  C   LIG    1        6.699   0.242  -2.171  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        6.660  -0.640  -1.082  0.00  0.00    -0.011 A 
ATOM     28  C   LIG    1        7.857  -1.183  -0.603  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1        9.072  -0.846  -1.208  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        9.101   0.034  -2.291  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        7.913   0.581  -2.776  0.00  0.00    +0.014 A 
ATOM     32  C   LIG    1        5.375  -0.979  -0.466  0.00  0.00    +0.030 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 6