REMARK  Name = BDB060724
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.668   0.993  -0.021  0.00  0.00    +0.137 A 
ATOM      2  C   LIG    1       -0.155   2.262   0.351  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.162   2.467  -0.088  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        1.815   3.650   0.224  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        1.206   4.662   0.961  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.102   4.500   1.386  0.00  0.00    +0.004 A 
ATOM      7  N   LIG    1        1.859   1.581  -0.800  0.00  0.00    -0.214 NA
ATOM      8  C   LIG    1        1.269   0.435  -1.129  0.00  0.00    +0.218 A 
ATOM      9  C   LIG    1       -0.806   3.323   1.083  0.00  0.00    -0.038 A 
ATOM     10  C   LIG    1       -2.243   3.251   1.531  0.00  0.00    +0.044 C 
ATOM     11  N   LIG    1        0.040   0.108  -0.751  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1       -1.935   0.575   0.456  0.00  0.00    -0.282 N 
ATOM     13  H   LIG    1       -1.915   0.581   1.466  0.00  0.00    +0.155 HD
BRANCH  12  18
ATOM     14  C   LIG    1       -4.371  -1.849  -0.315  0.00  0.00    +0.038 A 
ATOM     15  N   LIG    1       -3.874  -1.461  -1.528  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1       -4.133  -1.794  -2.450  0.00  0.00    +0.189 HD
ATOM     17  N   LIG    1       -2.936  -0.511  -1.446  0.00  0.00    -0.158 NA
ATOM     18  C   LIG    1       -2.773  -0.306  -0.137  0.00  0.00    +0.146 A 
ATOM     19  C   LIG    1       -3.676  -1.102   0.611  0.00  0.00    +0.068 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -4.856  -4.277  -0.080  0.00  0.00    +0.010 C 
ATOM     21  C   LIG    1       -5.436  -2.875  -0.173  0.00  0.00    +0.051 C 
ENDBRANCH  14  21
ENDBRANCH  12  18
ENDBRANCH   1  12
BRANCH   8  22
ATOM     22  N   LIG    1        1.925  -0.515  -1.891  0.00  0.00    -0.305 N 
ATOM     23  H   LIG    1        1.346  -1.346  -1.788  0.00  0.00    +0.150 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.333  -0.795  -1.608  0.00  0.00    +0.119 C 
ATOM     25  C   LIG    1        4.272   0.277  -2.166  0.00  0.00    +0.034 C 
BRANCH  24  26
ATOM     26  C   LIG    1        3.575  -1.218  -0.160  0.00  0.00    +0.061 A 
ATOM     27  N   LIG    1        3.326  -2.527   0.133  0.00  0.00    -0.255 NA
ATOM     28  C   LIG    1        3.498  -2.926   1.416  0.00  0.00    +0.149 A 
ATOM     29  C   LIG    1        3.909  -2.083   2.430  0.00  0.00    +0.141 A 
ATOM     30  F   LIG    1        4.060  -2.538   3.680  0.00  0.00    -0.204 F 
ATOM     31  C   LIG    1        4.160  -0.755   2.134  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1        3.990  -0.312   0.822  0.00  0.00    +0.028 A 
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH   8  22
TORSDOF 6