REMARK  Name = BDB024549
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.648   1.101  -0.312  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1       -4.721   0.061  -0.130  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1       -5.277  -1.267   0.208  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1       -5.990  -1.901  -0.998  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1       -4.252  -2.283   0.738  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1       -3.232  -1.602   1.624  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -2.535  -0.567   0.789  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.141  -0.364   0.857  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.213  -1.021   1.615  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        0.963  -0.496   1.318  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1        0.815   0.533   0.403  0.00  0.00    -0.322 N 
ATOM     12  C   LIG    1       -0.532   0.606   0.075  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1       -1.262   1.401  -0.815  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -2.648   1.200  -0.871  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -3.299   0.250  -0.073  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1       -6.864   0.926  -0.359  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        1.827   1.413  -0.179  0.00  0.00    +0.115 C 
ATOM     18  C   LIG    1        2.770   2.098   0.823  0.00  0.00    +0.186 C 
ATOM     19  O   LIG    1        4.064   1.495   0.809  0.00  0.00    -0.363 OA
ATOM     20  C   LIG    1        4.769   1.657  -0.428  0.00  0.00    +0.226 C 
ATOM     21  C   LIG    1        3.851   1.529  -1.653  0.00  0.00    +0.045 C 
ATOM     22  C   LIG    1        2.584   0.747  -1.334  0.00  0.00    +0.030 C 
BRANCH  20  23
ATOM     23  C   LIG    1        5.563   2.967  -0.487  0.00  0.00    +0.334 C 
ATOM     24  O   LIG    1        5.520   3.894   0.305  0.00  0.00    -0.248 OA
BRANCH  23  25
ATOM     25  O   LIG    1        6.379   3.033  -1.561  0.00  0.00    -0.479 OA
ATOM     26  H   LIG    1        6.835   3.895  -1.458  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1       -6.045   3.412  -0.481  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1       -5.098   2.349  -0.362  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1        2.243  -0.995   1.927  0.00  0.00    +0.109 C 
BRANCH  29  30
ATOM     30  C   LIG    1        3.033  -1.951   1.059  0.00  0.00    -0.040 A 
ATOM     31  C   LIG    1        4.430  -1.844   0.990  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        5.176  -2.732   0.212  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        4.535  -3.748  -0.494  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        3.151  -3.882  -0.415  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        2.405  -2.996   0.362  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 6