REMARK  Name = BDB013739
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.628   0.940  -0.829  0.00  0.00    -0.323 N 
ATOM      2  H   LIG    1        0.229   0.382  -1.577  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.614   0.304  -0.090  0.00  0.00    +0.147 A 
ATOM      4  C   LIG    1        2.417  -0.774  -0.730  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        3.318  -1.472   0.066  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        4.083  -2.515  -0.476  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        3.953  -2.850  -1.823  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        3.067  -2.139  -2.630  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        3.480  -1.096   1.479  0.00  0.00    +0.275 A 
ATOM     10  O   LIG    1        4.245  -1.743   2.191  0.00  0.00    -0.266 OA
ATOM     11  N   LIG    1        2.747   0.001   1.911  0.00  0.00    -0.230 N 
ATOM     12  C   LIG    1        2.838   0.431   3.293  0.00  0.00    +0.176 C 
ATOM     13  C   LIG    1        2.302  -1.101  -2.089  0.00  0.00    +0.012 A 
ATOM     14  N   LIG    1        1.812   0.650   1.151  0.00  0.00    -0.153 NA
ENDBRANCH   1   3
BRANCH   1  16
ATOM     15  C   LIG    1       -0.931   2.754  -1.228  0.00  0.00    +0.030 C 
ATOM     16  C   LIG    1       -0.405   1.775  -0.179  0.00  0.00    +0.090 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.480   0.878   0.572  0.00  0.00    +0.106 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.924  -0.367  -0.218  0.00  0.00    -0.029 A 
ATOM     19  C   LIG    1       -2.567  -0.297  -1.463  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -2.910  -1.457  -2.163  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -2.619  -2.709  -1.628  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -1.993  -2.803  -0.390  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -1.652  -1.644   0.311  0.00  0.00    +0.005 A 
ENDBRANCH  17  18
BRANCH  17  24
ATOM     24  N   LIG    1       -2.588   1.525   1.325  0.00  0.00    -0.300 NA
ATOM     25  C   LIG    1       -3.756   1.939   0.564  0.00  0.00    +0.105 C 
ATOM     26  C   LIG    1       -2.118   2.596   2.200  0.00  0.00    +0.105 C 
ENDBRANCH  17  24
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5