REMARK  Name = BDB062426
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.233   0.858  -1.006  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1        1.872   1.348   0.140  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        3.132   0.863   0.503  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        3.792  -0.108  -0.266  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        5.123  -0.573   0.174  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1        5.895  -1.583  -0.636  0.00  0.00    +0.064 C 
ATOM      7  C   LIG    1        7.362  -1.647  -0.205  0.00  0.00    +0.165 C 
ATOM      8  O   LIG    1        7.450  -1.747   1.215  0.00  0.00    -0.375 OA
ATOM      9  C   LIG    1        6.980  -0.550   1.858  0.00  0.00    +0.200 C 
ATOM     10  C   LIG    1        5.659  -0.090   1.314  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        4.957   0.944   2.119  0.00  0.00    +0.255 A 
ATOM     12  O   LIG    1        5.450   1.413   3.140  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        3.148  -0.594  -1.410  0.00  0.00    +0.010 A 
ATOM     14  N   LIG    1        3.739   1.359   1.662  0.00  0.00    -0.322 N 
ATOM     15  H   LIG    1        3.277   2.061   2.224  0.00  0.00    +0.169 HD
ATOM     16  C   LIG    1        1.887  -0.113  -1.777  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1       -0.129   1.381  -1.416  0.00  0.00    +0.119 C 
BRANCH  17  21
ATOM     18  N   LIG    1       -3.551   1.020  -0.004  0.00  0.00    -0.299 N 
ATOM     19  C   LIG    1       -3.240   1.714  -1.276  0.00  0.00    +0.123 C 
ATOM     20  C   LIG    1       -2.367   0.855  -2.224  0.00  0.00    +0.103 C 
ATOM     21  N   LIG    1       -1.123   0.317  -1.618  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -1.495  -0.380  -0.364  0.00  0.00    +0.103 C 
ATOM     23  C   LIG    1       -2.338   0.454   0.631  0.00  0.00    +0.123 C 
BRANCH  18  28
ATOM     24  C   LIG    1       -7.351  -1.606   1.614  0.00  0.00    +0.065 C 
ATOM     25  C   LIG    1       -6.369  -0.995   0.691  0.00  0.00    +0.036 A 
ATOM     26  N   LIG    1       -5.374  -0.120   1.069  0.00  0.00    -0.319 N 
ATOM     27  C   LIG    1       -5.190   0.421   2.394  0.00  0.00    +0.152 C 
ATOM     28  C   LIG    1       -4.637   0.196  -0.053  0.00  0.00    +0.198 A 
ATOM     29  N   LIG    1       -5.169  -0.358  -1.120  0.00  0.00    -0.222 NA
ATOM     30  C   LIG    1       -6.220  -1.111  -0.673  0.00  0.00    +0.135 A 
ENDBRANCH  18  28
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 3