REMARK  Name = BDB062610
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.697  -2.715   2.386  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1        0.025  -3.490   1.400  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -1.455  -3.361   3.438  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1  10
ATOM      4  C   LIG    1       -3.748   1.476  -2.599  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1       -4.774   1.570  -1.506  0.00  0.00    +0.217 C 
ATOM      6  N   LIG    1       -4.556   0.931  -0.305  0.00  0.00    -0.271 N 
ATOM      7  C   LIG    1       -3.538   0.068   0.143  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -3.775  -0.275   1.482  0.00  0.00    -0.023 A 
ATOM      9  C   LIG    1       -2.927  -1.117   2.189  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1       -1.809  -1.624   1.524  0.00  0.00    +0.109 A 
ATOM     11  C   LIG    1       -1.572  -1.313   0.176  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -5.001   0.395   2.015  0.00  0.00    +0.056 C 
ATOM     13  C   LIG    1       -2.438  -0.456  -0.517  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -5.558   1.070   0.763  0.00  0.00    +0.118 C 
ATOM     15  O   LIG    1       -5.797   2.235  -1.701  0.00  0.00    -0.276 OA
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  N   LIG    1        0.361  -1.650   3.160  0.00  0.00    -0.216 N 
ATOM     17  H   LIG    1        0.042  -1.407   4.096  0.00  0.00    +0.174 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.022  -0.646   2.399  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1        1.918  -0.987   1.386  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        2.527   0.006   0.601  0.00  0.00    -0.042 A 
ATOM     21  C   LIG    1        2.210   1.348   0.857  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        1.322   1.689   1.879  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        0.728   0.693   2.651  0.00  0.00    +0.024 A 
BRANCH  20  24
ATOM     24  C   LIG    1        3.474  -0.401  -0.518  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1        2.756  -0.321  -1.879  0.00  0.00    +0.008 C 
ATOM     26  C   LIG    1        3.753  -0.405  -3.028  0.00  0.00    +0.001 C 
ATOM     27  C   LIG    1        4.755   0.750  -3.009  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1        4.939   1.383  -1.629  0.00  0.00    +0.001 C 
ATOM     29  C   LIG    1        4.820   0.358  -0.504  0.00  0.00    +0.008 C 
ENDBRANCH  20  24
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4