REMARK  Name = BDB051323
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.581   1.927   0.089  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -5.584   1.503  -0.484  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -4.585   0.625   0.198  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -4.723   0.436   1.574  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -3.832  -0.373   2.272  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -2.815  -0.999   1.544  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -2.640  -0.848   0.163  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -1.514  -1.679  -0.198  0.00  0.00    -0.021 A 
ATOM      9  C   LIG    1       -1.061  -2.276   0.964  0.00  0.00    +0.087 A 
ATOM     10  N   LIG    1       -1.833  -1.844   2.001  0.00  0.00    -0.360 N 
ATOM     11  H   LIG    1       -1.720  -2.116   2.967  0.00  0.00    +0.165 HD
ATOM     12  C   LIG    1       -3.538   0.007  -0.540  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1       -3.484   0.255  -2.031  0.00  0.00    +0.055 C 
ATOM     14  C   LIG    1       -4.036   1.632  -2.377  0.00  0.00    +0.109 C 
ATOM     15  N   LIG    1       -5.341   1.823  -1.798  0.00  0.00    -0.311 N 
ATOM     16  H   LIG    1       -5.961   2.533  -2.168  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   8  17
ATOM     17  C   LIG    1       -0.917  -1.920  -1.552  0.00  0.00    +0.056 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.158  -0.909  -1.971  0.00  0.00    +0.110 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.337  -0.924  -1.117  0.00  0.00    -0.299 N 
ATOM     20  H   LIG    1        1.641  -1.839  -0.832  0.00  0.00    +0.150 HD
ATOM     21  C   LIG    1        1.560   0.079  -0.209  0.00  0.00    +0.302 C 
ATOM     22  N   LIG    1        2.713  -0.055   0.554  0.00  0.00    -0.278 N 
ATOM     23  C   LIG    1        3.833  -0.971   0.239  0.00  0.00    +0.202 C 
ATOM     24  C   LIG    1        5.071  -0.305  -0.411  0.00  0.00    +0.319 C 
ATOM     25  F   LIG    1        5.031  -0.515  -1.754  0.00  0.00    -0.186 F 
ATOM     26  F   LIG    1        6.193  -0.938   0.022  0.00  0.00    -0.186 F 
ATOM     27  N   LIG    1        5.264   1.116  -0.221  0.00  0.00    -0.257 NA
ATOM     28  H   LIG    1        6.089   1.360  -0.761  0.00  0.00    +0.127 HD
ATOM     29  C   LIG    1        5.439   1.513   1.168  0.00  0.00    +0.088 C 
ATOM     30  C   LIG    1        4.353   1.056   2.149  0.00  0.00    +0.034 C 
ATOM     31  C   LIG    1        2.953   1.014   1.535  0.00  0.00    +0.111 C 
ATOM     32  O   LIG    1        0.797   1.034  -0.088  0.00  0.00    -0.253 OA
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   8  17
TORSDOF 3