REMARK  Name = BDB061079
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        7.256  -0.124   2.099  0.00  0.00    +0.065 C 
ATOM      2  C   LIG    1        5.801  -0.328   1.817  0.00  0.00    +0.039 A 
ATOM      3  N   LIG    1        5.465  -1.473   1.186  0.00  0.00    -0.255 NA
ATOM      4  C   LIG    1        4.153  -1.713   0.889  0.00  0.00    +0.066 A 
ATOM      5  C   LIG    1        3.951  -2.977   0.108  0.00  0.00    +0.160 C 
ATOM      6  N   LIG    1        3.817  -2.720  -1.312  0.00  0.00    -0.308 N 
ATOM      7  H   LIG    1        4.636  -2.770  -1.871  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1        2.650  -2.599  -2.015  0.00  0.00    +0.240 C 
ATOM      9  C   LIG    1        1.356  -2.485  -1.214  0.00  0.00    +0.217 C 
ATOM     10  C   LIG    1        1.241  -1.095  -0.557  0.00  0.00    +0.148 C 
ATOM     11  N   LIG    1       -0.206  -0.850  -0.725  0.00  0.00    -0.254 N 
ATOM     12  C   LIG    1       -0.925  -0.261   0.288  0.00  0.00    +0.189 C 
ATOM     13  N   LIG    1       -0.507  -0.131   1.513  0.00  0.00    -0.226 NA
ATOM     14  C   LIG    1        0.761  -0.560   1.799  0.00  0.00    +0.120 C 
ATOM     15  C   LIG    1       -0.611  -1.691  -1.728  0.00  0.00    +0.186 C 
ATOM     16  C   LIG    1        1.673  -0.953   0.882  0.00  0.00    +0.003 C 
ATOM     17  N   LIG    1        0.172  -2.647  -2.138  0.00  0.00    -0.261 NA
ATOM     18  O   LIG    1        2.701  -2.556  -3.238  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1        3.123  -0.837   1.231  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        3.539   0.362   1.854  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        4.872   0.622   2.175  0.00  0.00    +0.023 A 
ENDROOT
BRANCH  12  22
ATOM     22  N   LIG    1       -2.162   0.198  -0.066  0.00  0.00    -0.312 N 
ATOM     23  H   LIG    1       -2.536  -0.140  -0.947  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.208   0.382   0.934  0.00  0.00    +0.142 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.452   0.911   0.278  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -4.494   2.154  -0.342  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -3.413   3.154  -0.539  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -4.277   4.340  -0.962  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -5.504   3.842  -1.546  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -5.648   2.612  -0.963  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -6.811   1.871  -0.993  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -6.803   0.623  -0.361  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -5.638   0.161   0.264  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -5.666  -1.051   0.839  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  12  22
TORSDOF 3