REMARK  Name = BDB060673
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.959   0.663   0.070  0.00  0.00    +0.075 A 
ATOM      2  N   LIG    1       -1.659   0.392  -0.205  0.00  0.00    -0.243 NA
ATOM      3  C   LIG    1       -0.796   1.421  -0.005  0.00  0.00    +0.117 A 
ATOM      4  C   LIG    1       -1.208   2.665   0.451  0.00  0.00    +0.154 A 
ATOM      5  O   LIG    1       -0.148   3.508   0.562  0.00  0.00    -0.461 OA
ATOM      6  C   LIG    1        0.948   2.802   0.174  0.00  0.00    +0.206 A 
ATOM      7  C   LIG    1       -2.532   2.956   0.737  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1        0.616   1.505  -0.178  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -3.424   1.900   0.531  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -6.999  -2.222  -0.385  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1       -5.644  -1.727  -0.357  0.00  0.00    -0.274 N 
ATOM     12  N   LIG    1       -4.634  -2.558  -0.660  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1       -3.550  -1.786  -0.539  0.00  0.00    +0.144 A 
ATOM     14  C   LIG    1       -3.859  -0.459  -0.156  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -5.236  -0.460  -0.049  0.00  0.00    +0.118 A 
ENDBRANCH   1  14
BRANCH   8  16
ATOM     16  C   LIG    1        1.576   0.515  -0.647  0.00  0.00    -0.012 A 
ATOM     17  C   LIG    1        2.900   0.504  -0.172  0.00  0.00    +0.018 A 
ATOM     18  C   LIG    1        3.830  -0.446  -0.626  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        3.413  -1.392  -1.573  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        2.101  -1.397  -2.047  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        1.188  -0.451  -1.584  0.00  0.00    +0.009 A 
BRANCH  18  22
ATOM     22  C   LIG    1        5.211  -0.458  -0.126  0.00  0.00    +0.092 A 
ATOM     23  N   LIG    1        6.173  -1.178  -0.729  0.00  0.00    -0.174 NA
ATOM     24  N   LIG    1        7.279  -0.949  -0.008  0.00  0.00    -0.284 N 
ATOM     25  H   LIG    1        8.140  -1.403  -0.295  0.00  0.00    +0.188 HD
ATOM     26  C   LIG    1        7.080  -0.111   1.044  0.00  0.00    +0.105 A 
ATOM     27  C   LIG    1        5.750   0.227   1.001  0.00  0.00    +0.049 A 
ENDBRANCH  18  22
ENDBRANCH   8  16
TORSDOF 3