REMARK  Name = BDB007323
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.925  -0.099  -0.532  0.00  0.00    +0.168 A 
ATOM      2  N   LIG    1       -1.693   0.265  -0.158  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.746  -0.664  -0.280  0.00  0.00    +0.223 A 
ATOM      4  N   LIG    1       -0.971  -1.880  -0.766  0.00  0.00    -0.203 NA
ATOM      5  C   LIG    1       -2.224  -2.129  -1.128  0.00  0.00    +0.227 A 
ATOM      6  N   LIG    1       -3.243  -1.285  -1.048  0.00  0.00    -0.216 NA
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -5.283   0.634   0.029  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1       -3.981   0.921  -0.430  0.00  0.00    +0.061 A 
ATOM      9  C   LIG    1       -3.706   2.255  -0.806  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1       -4.683   3.251  -0.727  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -5.948   2.930  -0.258  0.00  0.00    +0.127 A 
ATOM     12  F   LIG    1       -6.880   3.887  -0.168  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -6.257   1.635   0.130  0.00  0.00    +0.084 A 
BRANCH   7  15
ATOM     14  C   LIG    1       -6.523  -1.278  -0.362  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -5.583  -0.625   0.492  0.00  0.00    -0.494 OA
ENDBRANCH   7  15
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  N   LIG    1        0.522  -0.258   0.133  0.00  0.00    -0.284 N 
ATOM     17  H   LIG    1        0.456   0.679   0.505  0.00  0.00    +0.155 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.757  -0.902   0.261  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        2.863  -0.148   0.694  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        4.147  -0.710   0.821  0.00  0.00    -0.033 A 
ATOM     21  C   LIG    1        4.320  -2.063   0.516  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        3.241  -2.823   0.075  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        1.975  -2.244  -0.056  0.00  0.00    +0.023 A 
BRANCH  20  24
ATOM     24  C   LIG    1        5.303   0.133   1.289  0.00  0.00    +0.148 C 
BRANCH  24  25
ATOM     25  S   LIG    1        6.444   0.492  -0.057  0.00  0.00    +0.047 S 
ATOM     26  O   LIG    1        7.057  -0.749  -0.488  0.00  0.00    -0.248 OA
ATOM     27  N   LIG    1        7.282   1.714   0.391  0.00  0.00    -0.252 NA
ATOM     28  H   LIG    1        7.999   1.436   1.066  0.00  0.00    +0.197 HD
ATOM     29  C   LIG    1        5.407   1.069  -1.390  0.00  0.00    +0.132 C 
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 6