REMARK  Name = BDB060294
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.891  -1.239   1.071  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -1.402  -0.096   0.440  0.00  0.00    -0.165 N 
ATOM      3  C   LIG    1       -0.097   0.329   0.142  0.00  0.00    +0.267 C 
ATOM      4  O   LIG    1        0.106   1.397  -0.437  0.00  0.00    -0.269 OA
ATOM      5  N   LIG    1       -2.457   0.669   0.046  0.00  0.00    -0.139 NA
ATOM      6  C   LIG    1       -3.523  -0.072   0.378  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -3.196  -1.256   1.004  0.00  0.00    -0.192 NA
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1       -4.921   0.311   0.122  0.00  0.00    +0.110 A 
ATOM      9  N   LIG    1       -5.147   1.515  -0.467  0.00  0.00    -0.252 NA
ATOM     10  C   LIG    1       -6.430   1.864  -0.701  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1       -7.516   1.070  -0.376  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -7.275  -0.158   0.226  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -5.961  -0.546   0.480  0.00  0.00    +0.031 A 
ENDBRANCH   6   8
BRANCH   1  14
ATOM     14  N   LIG    1       -1.156  -2.216   1.650  0.00  0.00    -0.327 N 
ATOM     15  H   LIG    1       -0.555  -1.946   2.428  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1       -1.747  -2.976   1.993  0.00  0.00    +0.145 HD
ENDBRANCH   1  14
BRANCH   3  17
ATOM     17  C   LIG    1        1.002  -0.615   0.559  0.00  0.00    +0.205 C 
BRANCH  17  18
ATOM     18  N   LIG    1        2.291  -0.057   0.179  0.00  0.00    -0.302 N 
ATOM     19  H   LIG    1        2.288   0.690  -0.510  0.00  0.00    +0.150 HD
ATOM     20  C   LIG    1        3.462  -0.670   0.560  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1        3.475  -1.683   1.251  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1        4.731  -0.063   0.071  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        4.829   1.291  -0.277  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        6.045   1.811  -0.729  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        7.165   0.986  -0.828  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        7.078  -0.358  -0.469  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        5.865  -0.881  -0.017  0.00  0.00    +0.013 A 
ENDBRANCH  20  22
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 5