REMARK  Name = BDB061390
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.226   4.499  -0.934  0.00  0.00    +0.088 C 
ATOM      2  C   LIG    1        1.194   3.477  -0.568  0.00  0.00    +0.130 A 
ATOM      3  N   LIG    1        0.259   3.849   0.324  0.00  0.00    -0.215 NA
ATOM      4  C   LIG    1       -0.622   2.870   0.564  0.00  0.00    +0.144 A 
ATOM      5  C   LIG    1       -0.644   1.602   0.003  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1       -1.757   0.923   0.594  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -2.375   1.804   1.464  0.00  0.00    +0.093 A 
ATOM      8  C   LIG    1        0.364   1.314  -0.937  0.00  0.00    +0.132 A 
ATOM      9  N   LIG    1       -1.673   2.981   1.431  0.00  0.00    -0.345 N 
ATOM     10  H   LIG    1       -1.872   3.814   1.964  0.00  0.00    +0.167 HD
ATOM     11  N   LIG    1        1.273   2.286  -1.202  0.00  0.00    -0.217 NA
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -2.215  -0.438   0.422  0.00  0.00    -0.011 A 
ATOM     13  C   LIG    1       -1.477  -1.494   0.957  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1       -1.927  -2.788   0.751  0.00  0.00    +0.117 A 
ATOM     15  N   LIG    1       -3.035  -3.071   0.047  0.00  0.00    -0.241 NA
ATOM     16  C   LIG    1       -3.736  -2.031  -0.458  0.00  0.00    +0.113 A 
ATOM     17  C   LIG    1       -3.373  -0.707  -0.298  0.00  0.00    +0.028 A 
BRANCH  14  18
ATOM     18  N   LIG    1       -1.204  -3.876   1.232  0.00  0.00    -0.343 N 
ATOM     19  H   LIG    1       -1.031  -3.794   2.228  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1       -1.745  -4.709   1.010  0.00  0.00    +0.144 HD
ENDBRANCH  14  18
ENDBRANCH   6  12
BRANCH   8  21
ATOM     21  N   LIG    1        0.433   0.103  -1.631  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1       -0.198  -0.587  -1.245  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.781  -0.423  -1.817  0.00  0.00    +0.145 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.321  -1.163  -0.621  0.00  0.00    +0.007 A 
ATOM     25  S   LIG    1        3.493  -0.435   0.395  0.00  0.00    -0.100 S 
ATOM     26  C   LIG    1        3.548  -1.803   1.419  0.00  0.00    +0.045 A 
ATOM     27  C   LIG    1        2.692  -2.797   1.001  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        1.984  -2.428  -0.179  0.00  0.00    +0.013 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 5