REMARK  Name = BDB000521
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.004   0.613  -1.245  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.383   1.244  -1.087  0.00  0.00    +0.082 C 
BRANCH   2   3
ATOM      3  C   LIG    1       -1.971   0.999   0.301  0.00  0.00    +0.232 C 
BRANCH   3   4
ATOM      4  O   LIG    1       -3.292   1.538   0.378  0.00  0.00    -0.492 OA
BRANCH   4  15
ATOM      5  C   LIG    1       -5.694   2.646   1.078  0.00  0.00    +0.048 C 
ATOM      6  C   LIG    1       -5.629   1.274   0.457  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -6.790   0.497   0.204  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1       -6.655  -0.764  -0.376  0.00  0.00    +0.047 A 
ATOM      9  N   LIG    1       -7.919  -1.295  -0.509  0.00  0.00    -0.361 N 
ATOM     10  H   LIG    1       -8.119  -2.204  -0.902  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1       -8.854  -0.417  -0.034  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -5.418  -1.306  -0.729  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -4.278  -0.537  -0.478  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1       -8.187   0.700   0.413  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -4.368   0.727   0.111  0.00  0.00    +0.124 A 
ENDBRANCH   4  15
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1        0.877   1.177  -0.276  0.00  0.00    -0.492 OA
BRANCH  16  17
ATOM     17  C   LIG    1        2.161   0.704  -0.248  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        2.962   1.268   0.749  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        4.279   0.852   0.868  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1        5.309   1.358   1.827  0.00  0.00    +0.036 C 
ATOM     21  C   LIG    1        6.347   0.233   1.754  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1        6.276  -0.344   0.320  0.00  0.00    +0.030 C 
ATOM     23  C   LIG    1        4.818  -0.111   0.007  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1        4.038  -0.661  -0.997  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        2.702  -0.255  -1.117  0.00  0.00    +0.046 A 
BRANCH  22  26
ATOM     26  C   LIG    1        6.742  -1.800   0.296  0.00  0.00    +0.128 C 
BRANCH  26  27
ATOM     27  C   LIG    1        7.080  -2.279  -1.089  0.00  0.00    +0.305 C 
ATOM     28  O   LIG    1        7.182  -1.617  -2.107  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1        7.309  -3.608  -1.116  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1        7.535  -3.793  -2.052  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9