REMARK  Name = BDB055386
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.386   0.007   1.260  0.00  0.00    +0.052 A 
ATOM      2  C   LIG    1       -2.376  -0.128   0.254  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -1.816  -0.454  -0.945  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1       -2.504  -0.660  -2.104  0.00  0.00    -0.316 N 
ATOM      5  H   LIG    1       -2.034  -0.915  -2.962  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -3.880  -0.547  -2.105  0.00  0.00    +0.264 A 
ATOM      7  C   LIG    1       -4.553  -0.168  -0.807  0.00  0.00    +0.124 A 
ATOM      8  O   LIG    1       -4.506  -0.769  -3.137  0.00  0.00    -0.267 OA
ATOM      9  S   LIG    1       -0.150  -0.601  -0.912  0.00  0.00    -0.066 S 
ATOM     10  C   LIG    1       -3.793   0.022   0.297  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1       -0.099  -0.202   0.767  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1       -1.653   0.316   2.550  0.00  0.00    -0.356 N 
ATOM     13  H   LIG    1       -0.908   0.182   3.243  0.00  0.00    +0.142 HD
ATOM     14  H   LIG    1       -2.571   0.158   2.953  0.00  0.00    +0.142 HD
ENDBRANCH   1  12
BRANCH   7  15
ATOM     15  C   LIG    1       -6.016   0.022  -0.743  0.00  0.00    +0.342 C 
ATOM     16  O   LIG    1       -6.788   0.144  -1.675  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -6.494   0.057   0.520  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1       -7.459   0.176   0.386  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH   7  15
BRANCH  11  19
ATOM     19  C   LIG    1        1.145  -0.160   1.542  0.00  0.00    +0.175 C 
ATOM     20  O   LIG    1        1.123  -0.279   2.775  0.00  0.00    -0.291 OA
BRANCH  19  21
ATOM     21  C   LIG    1        2.517   0.048   0.885  0.00  0.00    +0.061 C 
ATOM     22  C   LIG    1        3.053  -1.209   0.183  0.00  0.00    +0.011 C 
ATOM     23  C   LIG    1        3.787  -0.898  -1.120  0.00  0.00    +0.001 C 
ATOM     24  C   LIG    1        4.733   0.286  -0.952  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1        4.028   1.558  -0.473  0.00  0.00    +0.001 C 
ATOM     26  C   LIG    1        2.606   1.321   0.038  0.00  0.00    +0.011 C 
ENDBRANCH  19  21
ENDBRANCH  11  19
TORSDOF 5