REMARK  Name = BDB058659
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.510  -2.255   0.747  0.00  0.00    +0.072 C 
ATOM      2  C   LIG    1        1.555  -1.284   0.176  0.00  0.00    +0.065 C 
ATOM      3  C   LIG    1        0.246  -1.520   0.038  0.00  0.00    +0.061 C 
ATOM      4  C   LIG    1        2.393  -0.097  -0.139  0.00  0.00    +0.272 C 
ATOM      5  O   LIG    1        2.005   0.959  -0.603  0.00  0.00    -0.268 OA
ATOM      6  N   LIG    1        3.681  -0.512   0.241  0.00  0.00    -0.156 N 
ATOM      7  N   LIG    1        3.732  -1.799   0.766  0.00  0.00    -0.176 NA
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1        4.891   0.226   0.160  0.00  0.00    +0.060 A 
ATOM      9  C   LIG    1        6.098  -0.350   0.593  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1        7.306   0.353   0.523  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1        7.332   1.654   0.015  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        6.141   2.241  -0.420  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        4.934   1.532  -0.347  0.00  0.00    +0.026 A 
BRANCH  11  14
ATOM     14  C   LIG    1        8.632   2.365  -0.042  0.00  0.00    +0.337 C 
ATOM     15  O   LIG    1        9.706   1.918   0.318  0.00  0.00    -0.245 OA
BRANCH  14  16
ATOM     16  O   LIG    1        8.527   3.606  -0.548  0.00  0.00    -0.477 OA
ATOM     17  H   LIG    1        9.445   3.947  -0.525  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   6   8
BRANCH   3  18
ATOM     18  C   LIG    1       -0.719  -0.637  -0.515  0.00  0.00    +0.129 A 
ATOM     19  O   LIG    1       -2.012  -0.628  -0.040  0.00  0.00    -0.455 OA
ATOM     20  C   LIG    1       -2.751   0.254  -0.763  0.00  0.00    +0.138 A 
ATOM     21  C   LIG    1       -1.955   0.847  -1.714  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1       -0.671   0.265  -1.571  0.00  0.00    +0.050 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -4.146   0.396  -0.365  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1       -4.945  -0.662   0.086  0.00  0.00    +0.137 A 
ATOM     25  C   LIG    1       -6.272  -0.474   0.502  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1       -6.844   0.804   0.465  0.00  0.00    -0.045 A 
ATOM     27  C   LIG    1       -8.269   0.989   0.912  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1       -6.073   1.886  -0.005  0.00  0.00    -0.047 A 
ATOM     29  C   LIG    1       -6.638   3.281  -0.065  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1       -4.739   1.669  -0.408  0.00  0.00    +0.017 A 
BRANCH  24  31
ATOM     31  N   LIG    1       -4.445  -2.023   0.093  0.00  0.00    +0.057 N 
ATOM     32  O   LIG    1       -4.350  -2.582   1.195  0.00  0.00    -0.126 OA
ATOM     33  O   LIG    1       -4.210  -2.548  -1.005  0.00  0.00    -0.126 OA
ENDBRANCH  24  31
ENDBRANCH  20  23
ENDBRANCH   3  18
BRANCH   1  35
ATOM     34  C   LIG    1        2.160  -4.624   0.085  0.00  0.00    +0.010 C 
ATOM     35  C   LIG    1        2.159  -3.633   1.234  0.00  0.00    +0.054 C 
ENDBRANCH   1  35
TORSDOF 7