REMARK  Name = BDB058561
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.386  -1.687  -2.208  0.00  0.00    +0.090 C 
ATOM      2  C   LIG    1       -4.645  -0.693  -1.148  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1       -3.648  -0.125  -0.393  0.00  0.00    -0.195 N 
ATOM      4  C   LIG    1       -4.288   0.732   0.462  0.00  0.00    +0.186 A 
ATOM      5  C   LIG    1       -3.505   1.483   1.409  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1       -2.115   1.288   1.386  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -1.553   0.329   0.350  0.00  0.00    +0.148 A 
ATOM      8  C   LIG    1       -1.313   1.960   2.317  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1       -1.897   2.835   3.239  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.278   3.037   3.244  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.085   2.358   2.331  0.00  0.00    +0.012 A 
ATOM     12  N   LIG    1       -5.586   0.696   0.249  0.00  0.00    -0.127 NA
ATOM     13  N   LIG    1       -2.307  -0.350  -0.480  0.00  0.00    -0.148 NA
ATOM     14  N   LIG    1       -5.811  -0.205  -0.770  0.00  0.00    -0.132 NA
ENDROOT
BRANCH   7  15
ATOM     15  N   LIG    1       -0.182   0.167   0.285  0.00  0.00    -0.323 N 
ATOM     16  H   LIG    1        0.387   0.929   0.639  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        0.502  -0.562  -0.799  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1        0.678   0.381  -1.993  0.00  0.00    +0.030 C 
BRANCH  17  19
ATOM     19  C   LIG    1        1.850  -1.215  -0.273  0.00  0.00    +0.106 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.730  -0.154   0.412  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1        2.709  -0.026   1.812  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        3.478   0.947   2.451  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.282   1.803   1.701  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.322   1.683   0.314  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        3.553   0.711  -0.327  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
BRANCH  19  26
ATOM     26  N   LIG    1        2.622  -2.013  -1.280  0.00  0.00    -0.300 NA
ATOM     27  C   LIG    1        3.736  -2.734  -0.642  0.00  0.00    +0.105 C 
ATOM     28  C   LIG    1        1.778  -2.997  -1.970  0.00  0.00    +0.105 C 
ENDBRANCH  19  26
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   7  15
TORSDOF 5