REMARK  Name = BDB054213
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.292   1.215  -1.031  0.00  0.00    -0.019 S 
ATOM      2  C   LIG    1       -1.389  -0.059   0.045  0.00  0.00    +0.135 C 
ENDROOT
BRANCH   2   3
ATOM      3  N   LIG    1       -2.495  -0.445   0.794  0.00  0.00    -0.296 N 
ATOM      4  H   LIG    1       -2.244  -0.873   1.677  0.00  0.00    +0.154 HD
BRANCH   3   5
ATOM      5  C   LIG    1       -3.868  -0.136   0.657  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -4.703  -0.324   1.760  0.00  0.00    +0.134 A 
ATOM      7  N   LIG    1       -6.040  -0.102   1.770  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1       -6.583   0.327   0.613  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1       -5.853   0.526  -0.546  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1       -4.478   0.281  -0.522  0.00  0.00    +0.026 A 
ENDBRANCH   3   5
ENDBRANCH   2   3
BRANCH   2  11
ATOM     11  N   LIG    1       -0.313  -0.876   0.380  0.00  0.00    -0.326 N 
ATOM     12  H   LIG    1       -0.551  -1.758   0.812  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1        1.045  -0.802  -0.162  0.00  0.00    +0.108 C 
BRANCH  13  14
ATOM     14  C   LIG    1        1.916   0.203   0.596  0.00  0.00    +0.054 C 
BRANCH  14  15
ATOM     15  C   LIG    1        3.321   0.242   0.048  0.00  0.00    -0.046 A 
ATOM     16  C   LIG    1        3.623   1.044  -1.062  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        4.916   1.068  -1.585  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        5.918   0.290  -1.006  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        5.626  -0.513   0.095  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.333  -0.539   0.620  0.00  0.00    +0.004 A 
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   2  11
TORSDOF 6