REMARK  Name = BDB062174
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.335   2.906  -0.006  0.00  0.00    +0.239 C 
ATOM      2  N   LIG    1       -2.623   1.715   0.036  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1       -2.224   0.935  -1.133  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -0.964   0.115  -0.872  0.00  0.00    +0.040 C 
ATOM      5  C   LIG    1       -1.115  -0.863   0.330  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -2.107  -0.281   1.379  0.00  0.00    +0.040 C 
ATOM      7  C   LIG    1       -2.164   1.243   1.341  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1       -3.498   3.625   0.978  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -1.613  -2.281  -0.028  0.00  0.00    -0.032 A 
ATOM     10  C   LIG    1       -2.135  -2.619  -1.287  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -2.565  -3.921  -1.562  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -2.490  -4.908  -0.585  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -1.992  -4.595   0.674  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -1.563  -3.296   0.952  0.00  0.00    +0.004 A 
ENDBRANCH   5   9
BRANCH   5  15
ATOM     15  C   LIG    1        0.306  -0.930   0.950  0.00  0.00    +0.243 C 
ATOM     16  N   LIG    1        1.221  -1.753   0.269  0.00  0.00    -0.185 N 
ATOM     17  H   LIG    1        0.935  -2.310  -0.531  0.00  0.00    +0.177 HD
ATOM     18  O   LIG    1        0.632  -0.261   1.923  0.00  0.00    -0.273 OA
BRANCH  16  19
ATOM     19  S   LIG    1        2.770  -2.081   0.765  0.00  0.00    +0.074 S 
ATOM     20  O   LIG    1        3.295  -3.006  -0.219  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        2.765  -2.420   2.170  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.597  -0.530   0.531  0.00  0.00    +0.109 A 
ATOM     23  C   LIG    1        3.720   0.359   1.601  0.00  0.00    +0.029 A 
ATOM     24  C   LIG    1        4.386   1.571   1.416  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        4.954   1.889   0.175  0.00  0.00    -0.050 A 
ATOM     26  C   LIG    1        5.644   3.206  -0.026  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        4.827   0.985  -0.889  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        4.159  -0.228  -0.712  0.00  0.00    +0.029 A 
ENDBRANCH  19  22
ENDBRANCH  16  19
ENDBRANCH   5  15
BRANCH   1  30
ATOM     29  C   LIG    1       -4.329   4.545  -1.543  0.00  0.00    +0.013 C 
ATOM     30  C   LIG    1       -3.933   3.285  -1.317  0.00  0.00    +0.060 C 
ENDBRANCH   1  30
TORSDOF 5