REMARK  Name = BDB025583
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.823   0.202  -0.320  0.00  0.00    +0.164 C 
ATOM      2  N   LIG    1       -1.430  -0.138   0.010  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -0.543   0.835   0.406  0.00  0.00    +0.241 C 
ATOM      4  O   LIG    1       -0.938   2.004   0.531  0.00  0.00    -0.273 OA
ATOM      5  C   LIG    1       -1.151  -1.527  -0.346  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -2.520  -2.150  -0.628  0.00  0.00    +0.134 C 
ATOM      7  C   LIG    1       -3.310  -0.966  -1.174  0.00  0.00    +0.065 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -4.011   1.794   2.931  0.00  0.00    +0.128 C 
ATOM      9  N   LIG    1       -3.445   1.546   1.632  0.00  0.00    -0.317 N 
ATOM     10  H   LIG    1       -2.623   2.083   1.349  0.00  0.00    +0.148 HD
ATOM     11  C   LIG    1       -3.653   0.350   0.975  0.00  0.00    +0.233 C 
ATOM     12  O   LIG    1       -4.398  -0.530   1.400  0.00  0.00    -0.274 OA
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  O   LIG    1       -2.446  -3.191  -1.585  0.00  0.00    -0.390 OA
ATOM     14  H   LIG    1       -3.345  -3.546  -1.697  0.00  0.00    +0.210 HD
ENDBRANCH   6  13
BRANCH   3  15
ATOM     15  C   LIG    1        0.909   0.510   0.773  0.00  0.00    +0.197 C 
BRANCH  15  16
ATOM     16  N   LIG    1        1.647   0.089  -0.407  0.00  0.00    -0.239 N 
ATOM     17  N   LIG    1        2.034  -1.188  -0.584  0.00  0.00    -0.065 NA
ATOM     18  N   LIG    1        2.691  -1.254  -1.734  0.00  0.00    -0.134 NA
ATOM     19  C   LIG    1        2.724   0.000  -2.266  0.00  0.00    +0.086 A 
ATOM     20  C   LIG    1        2.067   0.877  -1.442  0.00  0.00    +0.134 A 
BRANCH  19  21
ATOM     21  C   LIG    1        3.393   0.360  -3.609  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1        4.794  -0.126  -3.877  0.00  0.00    +0.010 C 
ATOM     23  C   LIG    1        4.544   1.333  -3.626  0.00  0.00    +0.010 C 
ENDBRANCH  19  21
ENDBRANCH  15  16
BRANCH  15  24
ATOM     24  C   LIG    1        1.079  -0.372   2.041  0.00  0.00    +0.016 C 
ATOM     25  C   LIG    1        0.128   0.050   3.169  0.00  0.00    +0.010 C 
ATOM     26  C   LIG    1        2.521  -0.298   2.569  0.00  0.00    +0.010 C 
ENDBRANCH  15  24
ENDBRANCH   3  15
TORSDOF 6