REMARK  Name = BDB000523
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.218   2.420  -0.267  0.00  0.00    +0.082 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.122   1.220  -0.537  0.00  0.00    +0.232 C 
BRANCH   2   3
ATOM      3  O   LIG    1       -2.471   1.647  -0.346  0.00  0.00    -0.492 OA
BRANCH   3  13
ATOM      4  C   LIG    1       -4.769   1.161  -0.120  0.00  0.00    +0.003 A 
ATOM      5  C   LIG    1       -5.840   0.229  -0.199  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -7.242   0.319   0.052  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -7.802  -0.913  -0.190  0.00  0.00    +0.086 A 
ATOM      8  N   LIG    1       -6.797  -1.755  -0.581  0.00  0.00    -0.350 N 
ATOM      9  C   LIG    1       -6.978  -3.147  -0.927  0.00  0.00    +0.149 C 
ATOM     10  C   LIG    1       -5.589  -1.087  -0.597  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1       -4.304  -1.532  -0.925  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -3.252  -0.616  -0.844  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1       -3.466   0.706  -0.447  0.00  0.00    +0.124 A 
BRANCH   4  14
ATOM     14  C   LIG    1       -5.002   2.595   0.316  0.00  0.00    +0.039 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -3.767   2.554   2.553  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -5.092   2.767   1.835  0.00  0.00    +0.001 C 
ENDBRANCH  14  16
ENDBRANCH   4  14
ENDBRANCH   3  13
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        1.246   2.115  -0.560  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  O   LIG    1        1.669   1.038   0.274  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1        2.961   0.608   0.134  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        3.305  -0.464   0.964  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1        4.589  -0.982   0.896  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1        5.171  -2.085   1.721  0.00  0.00    +0.036 C 
ATOM     23  C   LIG    1        6.404  -2.453   0.887  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1        6.864  -1.154   0.183  0.00  0.00    +0.030 C 
ATOM     25  C   LIG    1        5.541  -0.446   0.023  0.00  0.00    -0.040 A 
ATOM     26  C   LIG    1        5.218   0.630  -0.789  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        3.919   1.151  -0.736  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1        7.594  -1.420  -1.133  0.00  0.00    +0.128 C 
BRANCH  28  29
ATOM     29  C   LIG    1        8.934  -2.080  -0.916  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1        9.493  -2.211   0.161  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        9.491  -2.508  -2.074  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1        8.947  -2.333  -2.865  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  24  28
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11