REMARK  Name = BDB059896
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.442  -1.360  -0.389  0.00  0.00    +0.174 A 
ATOM      2  C   LIG    1       -0.433  -0.449  -0.680  0.00  0.00    +0.092 A 
ATOM      3  N   LIG    1        0.673  -1.215  -1.007  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        1.914  -0.674  -1.412  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1        2.044   0.623  -1.496  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1        0.966   1.404  -1.139  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1        0.309  -2.527  -0.875  0.00  0.00    +0.207 A 
ATOM      8  C   LIG    1       -0.246   0.963  -0.734  0.00  0.00    +0.027 A 
ATOM      9  N   LIG    1       -0.938  -2.655  -0.489  0.00  0.00    -0.228 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -1.210   2.000  -0.329  0.00  0.00    -0.014 A 
ATOM     11  C   LIG    1       -1.409   2.279   1.030  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -2.299   3.282   1.420  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -2.992   4.013   0.456  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -2.799   3.742  -0.898  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -1.909   2.741  -1.291  0.00  0.00    +0.008 A 
ENDBRANCH   8  10
BRANCH   1  16
ATOM     16  C   LIG    1       -2.844  -1.104  -0.044  0.00  0.00    +0.360 C 
ATOM     17  O   LIG    1       -3.416  -0.033  -0.206  0.00  0.00    -0.243 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -3.452  -2.215   0.474  0.00  0.00    -0.460 OA
BRANCH  18  20
ATOM     19  C   LIG    1       -4.959  -1.507   2.232  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1       -4.833  -2.068   0.828  0.00  0.00    +0.229 C 
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   4  21
ATOM     21  N   LIG    1        2.953  -1.533  -1.718  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1        2.941  -2.439  -1.264  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.319  -1.037  -1.829  0.00  0.00    +0.178 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.003  -0.887  -0.516  0.00  0.00    +0.122 A 
ATOM     25  O   LIG    1        5.488  -2.028   0.054  0.00  0.00    -0.466 OA
ATOM     26  C   LIG    1        6.051  -1.669   1.237  0.00  0.00    +0.195 A 
ATOM     27  C   LIG    1        5.924  -0.315   1.440  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1        5.242   0.192   0.309  0.00  0.00    +0.046 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 7