REMARK  Name = BDB028365
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.404  -0.699   1.737  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1        2.138  -0.699   2.905  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1        3.551  -0.432   3.056  0.00  0.00    +0.173 C 
ATOM      4  N   LIG    1        1.410  -0.990   4.000  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1        0.192  -1.237   3.518  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1        0.119  -1.057   2.122  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   6   7
ATOM      7  C   LIG    1       -1.008  -1.220   1.226  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -1.443  -0.148   0.432  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -2.521  -0.314  -0.446  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -3.168  -1.545  -0.516  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -4.304  -1.706  -1.437  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -4.644  -0.600  -2.176  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -5.426  -0.693  -2.818  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -4.029   0.614  -2.137  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -4.906  -2.770  -1.529  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -2.745  -2.616   0.279  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -3.021   0.771  -1.326  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -1.666  -2.452   1.149  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -2.316   2.131  -1.274  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.911   3.074  -2.227  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -3.915   3.115  -2.033  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -2.878   2.641  -3.154  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6   7
BRANCH   1  28
ATOM     23  C   LIG    1        2.727   1.261  -1.191  0.00  0.00    +0.139 A 
ATOM     24  C   LIG    1        2.982   0.233  -2.111  0.00  0.00    +0.084 A 
ATOM     25 CL   LIG    1        3.612   0.568  -3.686  0.00  0.00    -0.080 Cl
ATOM     26  C   LIG    1        2.726  -1.101  -1.784  0.00  0.00    +0.043 A 
ATOM     27  C   LIG    1        2.213  -1.431  -0.525  0.00  0.00    +0.063 A 
ATOM     28  C   LIG    1        1.963  -0.414   0.413  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1        2.224   0.926   0.071  0.00  0.00    +0.058 A 
BRANCH  23  31
ATOM     30  C   LIG    1        2.586   3.611  -0.765  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        3.002   2.538  -1.600  0.00  0.00    -0.494 OA
ENDBRANCH  23  31
BRANCH  27  32
ATOM     32  C   LIG    1        1.961  -2.814  -0.227  0.00  0.00    +0.100 C 
ATOM     33  N   LIG    1        1.765  -3.935  -0.003  0.00  0.00    -0.191 NA
ENDBRANCH  27  32
ENDBRANCH   1  28
TORSDOF 6