REMARK  Name = BDB012394
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.094  -1.796  -0.716  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        2.186  -2.041   0.133  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1        2.159  -3.329   0.596  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1        1.057  -3.862   0.081  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1        0.359  -2.967  -0.733  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        3.256  -1.166   0.550  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        4.224  -1.700   1.352  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        5.238  -0.914   1.765  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        5.354   0.414   1.423  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        4.365   0.961   0.611  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1        3.301   0.168   0.164  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1        4.482   2.392   0.247  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        5.384   3.138   0.578  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        3.460   2.825  -0.512  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        3.672   3.769  -0.674  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1        0.918  -0.616  -1.327  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -0.263  -0.449  -2.121  0.00  0.00    +0.269 C 
BRANCH  17  22
ATOM     18  C   LIG    1       -3.724   0.598   0.257  0.00  0.00    -0.045 A 
ATOM     19  C   LIG    1       -3.801  -0.406  -0.716  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1       -2.677  -0.736  -1.469  0.00  0.00    +0.130 A 
ATOM     21  F   LIG    1       -2.782  -1.704  -2.391  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -1.457  -0.086  -1.280  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1       -1.385   0.931  -0.318  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -2.508   1.268   0.444  0.00  0.00    +0.004 A 
BRANCH  18  26
ATOM     25  C   LIG    1       -5.749   2.071   0.397  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -4.938   0.973   1.068  0.00  0.00    +0.032 C 
ENDBRANCH  18  26
ENDBRANCH  17  22
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7