REMARK  Name = BDB064069
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.130   0.547   0.506  0.00  0.00    -0.249 N 
ATOM      2  C   LIG    1        3.006   1.921   0.551  0.00  0.00    +0.144 C 
ATOM      3  S   LIG    1        4.166   3.082   0.783  0.00  0.00    -0.018 S 
ATOM      4  N   LIG    1        1.671   2.235   0.363  0.00  0.00    -0.292 N 
ATOM      5  H   LIG    1        1.315   3.181   0.353  0.00  0.00    +0.154 HD
ATOM      6  C   LIG    1        0.929   1.096   0.174  0.00  0.00    +0.096 C 
ATOM      7  C   LIG    1       -0.395   1.119  -0.026  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        1.903  -0.049   0.267  0.00  0.00    +0.266 C 
ATOM      9  O   LIG    1        1.675  -1.240   0.158  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -1.296   0.037  -0.250  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -2.646  -0.047   0.218  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -3.171  -1.250  -0.258  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.479  -1.669   0.015  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -5.278  -0.831   0.797  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -4.786   0.375   1.289  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -2.179  -1.864  -0.988  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1       -2.273  -2.759  -1.447  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -3.475   0.778   1.009  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1       -1.055  -1.081  -1.014  0.00  0.00    +0.091 A 
ENDBRANCH   7  10
BRANCH   1  21
ATOM     20  C   LIG    1        4.993  -0.479  -0.734  0.00  0.00    +0.025 C 
ATOM     21  C   LIG    1        4.352  -0.235   0.624  0.00  0.00    +0.112 C 
ENDBRANCH   1  21
TORSDOF 2