REMARK  Name = BDB016522
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.942  -3.652   2.123  0.00  0.00    +0.172 C 
ATOM      2  N   LIG    1        2.972  -2.323   1.563  0.00  0.00    -0.272 N 
ATOM      3  N   LIG    1        2.407  -2.100   0.373  0.00  0.00    -0.165 NA
ATOM      4  C   LIG    1        2.628  -0.787   0.122  0.00  0.00    +0.168 A 
ATOM      5  C   LIG    1        2.292  -0.212  -1.196  0.00  0.00    +0.266 C 
ATOM      6  N   LIG    1        1.150  -0.623  -1.853  0.00  0.00    -0.307 N 
ATOM      7  H   LIG    1        1.056  -0.251  -2.790  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1        0.124  -1.551  -1.397  0.00  0.00    +0.138 C 
ATOM      9  C   LIG    1       -1.286  -1.029  -1.714  0.00  0.00    +0.160 C 
ATOM     10  C   LIG    1       -2.335  -1.765  -0.849  0.00  0.00    +0.145 C 
ATOM     11  C   LIG    1       -3.668  -1.007  -0.790  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -4.304  -0.991   0.615  0.00  0.00    +0.026 C 
ATOM     13  C   LIG    1       -3.438  -0.420   1.755  0.00  0.00    +0.143 C 
ATOM     14  N   LIG    1       -2.730   0.797   1.414  0.00  0.00    -0.271 N 
ATOM     15  N   LIG    1       -3.426   1.902   1.094  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -2.491   2.731   0.622  0.00  0.00    +0.144 A 
ATOM     17  C   LIG    1       -1.193   2.170   0.653  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1        0.072   2.676   0.149  0.00  0.00    +0.075 A 
ATOM     19  N   LIG    1        1.205   2.165   0.693  0.00  0.00    -0.242 NA
ATOM     20  C   LIG    1        2.380   2.672   0.226  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1        3.638   2.294   0.926  0.00  0.00    +0.267 C 
ATOM     22  N   LIG    1        3.829   1.068   1.512  0.00  0.00    -0.277 N 
ATOM     23  H   LIG    1        4.569   1.093   2.202  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        4.503   3.161   1.093  0.00  0.00    -0.268 OA
ATOM     25  C   LIG    1        2.466   3.648  -0.765  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1        1.293   4.126  -1.328  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        0.078   3.640  -0.861  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -1.381   0.937   1.244  0.00  0.00    +0.118 A 
ATOM     29  O   LIG    1        3.017   0.616  -1.750  0.00  0.00    -0.268 OA
ATOM     30  C   LIG    1        3.327  -0.186   1.222  0.00  0.00    +0.084 A 
ATOM     31  C   LIG    1        3.546  -1.222   2.106  0.00  0.00    +0.132 A 
ENDROOT
BRANCH  10  32
ATOM     32  O   LIG    1       -2.548  -3.067  -1.412  0.00  0.00    -0.389 OA
ATOM     33  H   LIG    1       -3.260  -3.497  -0.905  0.00  0.00    +0.210 HD
ENDBRANCH  10  32
BRANCH   9  34
ATOM     34  O   LIG    1       -1.578  -1.216  -3.103  0.00  0.00    -0.388 OA
ATOM     35  H   LIG    1       -1.882  -2.145  -3.171  0.00  0.00    +0.210 HD
ENDBRANCH   9  34
TORSDOF 2