REMARK  Name = BDB024501
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.333  -1.507   0.736  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.578  -0.353   0.467  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.328   0.918   0.365  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        6.172   0.972  -0.920  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.463   2.188   0.413  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.314   2.018   1.383  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.490   0.859   0.900  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.080   0.893   0.898  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.245   1.912   1.276  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.984   1.481   1.064  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.971   0.174   0.607  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.350  -0.204   0.456  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.975  -1.359  -0.022  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.376  -1.386  -0.015  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.143  -0.312   0.456  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.562  -1.530   0.730  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.146  -0.650   0.330  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1       -2.200  -1.928   1.178  0.00  0.00    +0.026 C 
ATOM     19  C   LIG    1       -3.526  -2.677   1.002  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1       -4.089  -2.636  -0.432  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1       -3.015  -2.275  -1.461  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1       -2.330  -0.934  -1.172  0.00  0.00    +0.026 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -5.273  -1.684  -0.551  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -5.495  -0.751   0.205  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -6.067  -1.952  -1.611  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -5.786  -2.721  -2.143  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        5.366  -3.760   1.404  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        4.595  -2.603   1.076  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -2.216   2.314   1.274  0.00  0.00    +0.109 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.876   2.748  -0.018  0.00  0.00    -0.040 A 
ATOM     31  C   LIG    1       -2.154   3.467  -0.983  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -2.761   3.862  -2.176  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.097   3.549  -2.416  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.829   2.847  -1.460  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -4.224   2.453  -0.266  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 6