REMARK  Name = BDB028766
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.122  -1.820  -0.265  0.00  0.00    -0.112 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.355  -0.556   0.228  0.00  0.00    +0.138 C 
ATOM      3  C   LIG    1       -1.621  -0.615   1.732  0.00  0.00    +0.233 C 
ATOM      4  O   LIG    1       -0.760  -0.820   2.586  0.00  0.00    -0.274 OA
ATOM      5  N   LIG    1       -2.909  -0.331   2.131  0.00  0.00    -0.255 N 
ATOM      6  H   LIG    1       -3.069  -0.336   3.130  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -3.959   0.097   1.359  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1       -5.016   0.459   1.867  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -3.710   0.172  -0.127  0.00  0.00    +0.098 C 
ATOM     10  C   LIG    1       -2.642  -0.825  -0.551  0.00  0.00    +0.033 C 
ENDBRANCH   1   2
BRANCH   1  14
ATOM     11  C   LIG    1        3.621   0.823  -0.625  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1        3.137   0.451   0.631  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        2.011  -0.370   0.749  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1        1.323  -0.788  -0.391  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        1.774  -0.379  -1.647  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1        2.902   0.441  -1.759  0.00  0.00    +0.024 A 
BRANCH  11  17
ATOM     17  N   LIG    1        4.672   1.741  -0.732  0.00  0.00    -0.358 N 
ATOM     18  H   LIG    1        5.314   1.720   0.055  0.00  0.00    +0.142 HD
ATOM     19  H   LIG    1        5.157   1.707  -1.623  0.00  0.00    +0.142 HD
ENDBRANCH  11  17
ENDBRANCH   1  14
TORSDOF 3