REMARK  Name = BDB060833
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.978  -0.063   0.155  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.026  -0.318  -0.860  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1       -0.467  -0.867  -2.078  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -1.813  -1.159  -2.296  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -2.742  -0.906  -1.295  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -2.329  -0.361  -0.076  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        1.408  -0.040  -0.714  0.00  0.00    +0.166 A 
ATOM      8  N   LIG    1        1.998   0.492   0.405  0.00  0.00    -0.316 N 
ATOM      9  H   LIG    1        1.521   0.755   1.254  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1        3.321   0.589   0.135  0.00  0.00    +0.186 A 
ATOM     11  N   LIG    1        3.570   0.150  -1.071  0.00  0.00    -0.123 NA
ATOM     12  N   LIG    1        2.362  -0.248  -1.610  0.00  0.00    -0.128 NA
BRANCH  10  13
ATOM     13  S   LIG    1        4.435   1.212   1.280  0.00  0.00    -0.104 S 
ATOM     14  H   LIG    1        5.530   1.078   0.516  0.00  0.00    +0.110 HD
ENDBRANCH  10  13
ENDBRANCH   2   7
BRANCH   1  16
ATOM     15  C   LIG    1       -1.459   0.735   2.361  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -0.509   0.474   1.332  0.00  0.00    -0.494 OA
ENDBRANCH   1  16
TORSDOF 3