REMARK  Name = BDB013057
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.059  -0.064   0.768  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.289   1.038   1.230  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -1.078   0.918   1.169  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.568   2.103   1.635  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.576   2.890   1.986  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.734  -0.225   0.691  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -1.019  -1.232   0.264  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.599   2.218   1.729  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.357  -1.130   0.324  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.344  -0.180   0.828  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1        4.661  -0.519  -0.344  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        3.264  -0.480  -0.367  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        2.538  -0.121   0.782  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        3.241   0.205   1.953  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        4.638   0.163   1.982  0.00  0.00    +0.013 A 
BRANCH  10  18
ATOM     16  C   LIG    1        9.002   0.327  -0.053  0.00  0.00    +0.132 C 
ATOM     17  N   LIG    1        7.559   0.495  -0.046  0.00  0.00    -0.304 N 
ATOM     18  C   LIG    1        6.821  -0.240   0.881  0.00  0.00    +0.246 C 
ATOM     19  O   LIG    1        7.327  -0.962   1.737  0.00  0.00    -0.270 OA
ATOM     20  C   LIG    1        7.048   1.647  -0.777  0.00  0.00    +0.132 C 
ENDBRANCH  10  18
ENDBRANCH   1  13
BRANCH   6  21
ATOM     21  N   LIG    1       -3.113  -0.250   0.679  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -3.597   0.344   1.343  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.834  -1.483   0.408  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.288  -1.173   0.203  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -5.760  -0.549  -0.948  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -5.021  -0.035  -2.127  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -6.201   0.222  -3.065  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -7.403   0.388  -2.277  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -7.107  -0.243  -1.097  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -8.041  -0.536  -0.124  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -7.593  -1.168   1.036  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -6.235  -1.478   1.189  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -5.840  -2.066   2.327  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 5