REMARK  Name = BDB045779
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.627   0.759   1.132  0.00  0.00    +0.248 C 
ATOM      2  N   LIG    1       -0.798   0.011   0.315  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1       -1.238  -0.669  -0.291  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -1.290   1.513   2.036  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -4.966   0.288  -0.618  0.00  0.00    +0.162 A 
ATOM      6  C   LIG    1       -5.834   0.237   0.493  0.00  0.00    +0.163 A 
ATOM      7  C   LIG    1       -5.321   0.372   1.786  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1       -3.949   0.546   1.978  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1       -3.082   0.572   0.880  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1       -3.592   0.457  -0.420  0.00  0.00    +0.062 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -4.752   0.313  -3.001  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -5.568   0.160  -1.847  0.00  0.00    -0.491 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  O   LIG    1       -7.160   0.061   0.196  0.00  0.00    -0.477 OA
BRANCH  13  14
ATOM     14  C   LIG    1       -8.092   0.034   1.277  0.00  0.00    +0.349 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -9.478  -0.155   0.685  0.00  0.00    +0.343 C 
ATOM     16  O   LIG    1      -10.500  -0.232   1.352  0.00  0.00    -0.247 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -9.480  -0.230  -0.670  0.00  0.00    -0.478 OA
ATOM     18  H   LIG    1       -8.557  -0.145  -1.003  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  C   LIG    1        0.612   0.016   0.295  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        1.401   0.867   1.066  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        2.799   0.810   0.981  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        3.431  -0.096   0.123  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        2.641  -0.941  -0.653  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        1.244  -0.886  -0.567  0.00  0.00    +0.025 A 
BRANCH  22  25
ATOM     25  N   LIG    1        4.841  -0.083   0.094  0.00  0.00    -0.282 N 
ATOM     26  H   LIG    1        5.284   0.576   0.721  0.00  0.00    +0.155 HD
ATOM     27  C   LIG    1        5.673  -0.926  -0.620  0.00  0.00    +0.248 C 
ATOM     28  O   LIG    1        5.337  -1.881  -1.309  0.00  0.00    -0.270 OA
BRANCH  27  29
ATOM     29  C   LIG    1        7.128  -0.634  -0.478  0.00  0.00    +0.037 A 
ATOM     30  C   LIG    1        8.026  -1.709  -0.458  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1        9.395  -1.474  -0.326  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        9.872  -0.167  -0.224  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        8.983   0.908  -0.263  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        7.612   0.678  -0.394  0.00  0.00    +0.013 A 
ENDBRANCH  27  29
ENDBRANCH  22  25
ENDBRANCH   2  19
TORSDOF 9