REMARK  Name = BDB046930
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.798  -0.072   0.030  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1       -0.512  -0.600   0.150  0.00  0.00    +0.045 A 
ATOM      3  C   LIG    1        0.557   0.283   0.155  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        0.388   1.624   0.041  0.00  0.00    -0.253 NA
ATOM      5  C   LIG    1       -0.866   2.101  -0.101  0.00  0.00    +0.112 A 
ATOM      6  C   LIG    1       -1.989   1.300  -0.116  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.935  -0.183   0.292  0.00  0.00    +0.096 A 
ATOM      8  N   LIG    1        2.878   0.528   1.025  0.00  0.00    -0.246 NA
ATOM      9  C   LIG    1        4.035  -0.092   0.980  0.00  0.00    +0.156 A 
ATOM     10  S   LIG    1        4.076  -1.552   0.085  0.00  0.00    -0.083 S 
ATOM     11  C   LIG    1        2.414  -1.344  -0.291  0.00  0.00    +0.076 A 
ENDBRANCH   3   7
BRANCH   1  13
ATOM     12  O   LIG    1       -2.898  -2.085  -0.556  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -2.937  -1.011   0.018  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -3.993  -0.578   0.736  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -3.823   0.204   1.294  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 3