REMARK  Name = BDB062625
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.952  -2.454   0.608  0.00  0.00    -0.216 N 
ATOM      2  H   LIG    1       -0.925  -3.379   1.034  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.268  -1.780   0.319  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        0.349  -0.580  -0.392  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        1.594   0.017  -0.561  0.00  0.00    -0.023 A 
ATOM      6  C   LIG    1        1.889   1.290  -1.285  0.00  0.00    +0.056 C 
ATOM      7  C   LIG    1        3.417   1.373  -1.178  0.00  0.00    +0.118 C 
ATOM      8  N   LIG    1        3.867   0.252  -0.334  0.00  0.00    -0.271 N 
ATOM      9  C   LIG    1        5.172  -0.001   0.049  0.00  0.00    +0.217 C 
ATOM     10  O   LIG    1        5.535  -0.943   0.752  0.00  0.00    -0.276 OA
ATOM     11  C   LIG    1        6.194   0.990  -0.455  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1        2.750  -0.542  -0.020  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        2.686  -1.717   0.705  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        1.437  -2.330   0.875  0.00  0.00    +0.026 A 
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  S   LIG    1       -2.447  -2.092  -0.066  0.00  0.00    +0.076 S 
ATOM     16  O   LIG    1       -2.237  -1.833  -1.474  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1       -3.329  -3.147   0.392  0.00  0.00    -0.150 OA
BRANCH  15  19
ATOM     18  C   LIG    1       -3.904   0.245   0.156  0.00  0.00    +0.147 A 
ATOM     19  C   LIG    1       -2.965  -0.603   0.761  0.00  0.00    +0.150 A 
ATOM     20  C   LIG    1       -2.421  -0.289   2.017  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1       -2.792   0.887   2.664  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.710   1.744   2.064  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -4.265   1.424   0.821  0.00  0.00    +0.047 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -5.348   0.721  -1.691  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -4.433  -0.148  -1.040  0.00  0.00    -0.493 OA
ENDBRANCH  18  25
ENDBRANCH  15  19
ENDBRANCH   1  15
TORSDOF 4