REMARK  Name = BDB009174
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.993   1.179   0.268  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.258   0.456  -0.683  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.792   1.067  -1.389  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.069   2.421  -1.148  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.349   3.137  -0.190  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.673   2.515   0.524  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.813  -0.432   0.394  0.00  0.00    -0.310 N 
ATOM      8  H   LIG    1        2.710  -0.537  -0.606  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        2.099   0.554   1.043  0.00  0.00    +0.244 C 
ATOM     10  O   LIG    1        2.354   0.940   2.177  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1        3.973  -1.051   1.016  0.00  0.00    +0.120 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.215  -0.139   0.986  0.00  0.00    +0.102 C 
BRANCH  12  14
ATOM     13  C   LIG    1        7.610   0.051   1.129  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1        6.460  -0.818   1.397  0.00  0.00    -0.307 NA
ATOM     15  C   LIG    1        6.434  -1.169   2.820  0.00  0.00    +0.104 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   3  16
ATOM     16  C   LIG    1       -1.571   0.280  -2.420  0.00  0.00    +0.092 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.083   0.466  -2.332  0.00  0.00    +0.069 A 
ATOM     18  C   LIG    1       -3.868  -0.323  -1.331  0.00  0.00    -0.016 A 
ATOM     19  C   LIG    1       -3.186  -1.275  -0.388  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1       -4.089  -1.758   0.751  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -5.484  -2.099   0.244  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -6.137  -0.883  -0.417  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -5.200  -0.137  -1.326  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -5.819   0.839  -2.258  0.00  0.00    +0.268 A 
ATOM     25  O   LIG    1       -7.028   1.046  -2.268  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1       -4.960   1.489  -3.100  0.00  0.00    -0.243 N 
ATOM     27  H   LIG    1       -5.364   2.157  -3.748  0.00  0.00    +0.192 HD
ATOM     28  N   LIG    1       -3.613   1.317  -3.160  0.00  0.00    -0.175 NA
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 6