REMARK  Name = BDB004549
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.299  -0.482   0.477  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        1.512  -1.187   0.648  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        2.356  -1.285  -0.477  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        3.580  -1.970  -0.318  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        3.943  -2.548   0.914  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        3.099  -2.462   2.009  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1        1.989  -0.735  -1.655  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        0.802  -0.123  -1.715  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        1.893  -1.789   1.875  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1       -0.064   0.017  -0.714  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        4.576  -2.138  -1.423  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        5.635  -2.732  -1.249  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        4.287  -1.613  -2.647  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        3.410  -1.125  -2.809  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        4.947  -1.729  -3.401  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1       -0.551  -0.312   1.585  0.00  0.00    -0.320 N 
ATOM     17  H   LIG    1       -0.001   0.107   2.328  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.848   0.385   1.470  0.00  0.00    +0.116 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.705   1.840   1.032  0.00  0.00    -0.026 A 
ATOM     20  C   LIG    1       -1.086   2.761   1.899  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -0.944   4.104   1.541  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -1.418   4.550   0.312  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -2.032   3.655  -0.560  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.174   2.311  -0.203  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  C   LIG    1       -2.982  -0.480   0.810  0.00  0.00    +0.107 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -3.808  -1.343  -1.306  0.00  0.00    +0.101 C 
ATOM     27  N   LIG    1       -2.659  -1.190  -0.435  0.00  0.00    -0.317 NA
ATOM     28  H   LIG    1       -1.890  -0.699  -0.902  0.00  0.00    +0.122 HD
ENDBRANCH  25  27
ENDBRANCH  18  25
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 6