REMARK  Name = BDB060522
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.832   0.435   0.168  0.00  0.00    +0.101 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        2.496   0.041   0.816  0.00  0.00    -0.042 A 
ATOM      3  C   LIG    1        1.969   0.173  -0.482  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1        0.594   0.304  -0.710  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -0.313   0.314   0.354  0.00  0.00    -0.034 A 
ATOM      6  C   LIG    1        0.205   0.175   1.651  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1        1.581   0.043   1.877  0.00  0.00    +0.004 A 
BRANCH   2   9
ATOM      8  C   LIG    1        4.734   1.140   0.456  0.00  0.00    +0.015 C 
ATOM      9  C   LIG    1        4.014  -0.101   1.024  0.00  0.00    -0.013 C 
ATOM     10  C   LIG    1        4.431  -0.234   2.506  0.00  0.00    +0.015 C 
ATOM     11  C   LIG    1        4.522  -1.363   0.292  0.00  0.00    +0.015 C 
ENDBRANCH   2   9
ENDBRANCH   1   5
BRANCH   1  12
ATOM     12  C   LIG    1       -2.292   1.241  -1.054  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -2.449   0.705  -2.340  0.00  0.00    +0.121 A 
ATOM     14  C   LIG    1       -2.881   1.496  -3.410  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -3.156   2.847  -3.212  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -2.995   3.408  -1.950  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -2.565   2.615  -0.884  0.00  0.00    +0.008 A 
BRANCH  13  18
ATOM     18  O   LIG    1       -2.144  -0.605  -2.574  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1       -2.498  -0.856  -3.442  0.00  0.00    +0.292 HD
ENDBRANCH  13  18
ENDBRANCH   1  12
BRANCH   1  20
ATOM     20  C   LIG    1       -2.614  -0.862   0.416  0.00  0.00    +0.053 A 
ATOM     21  N   LIG    1       -3.803  -0.741   1.073  0.00  0.00    -0.259 NA
ATOM     22  C   LIG    1       -4.507  -1.868   1.316  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1       -4.088  -3.134   0.946  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -2.874  -3.253   0.284  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -2.127  -2.108   0.016  0.00  0.00    +0.024 A 
ENDBRANCH   1  20
TORSDOF 5