REMARK  Name = BDB062620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.154  -2.329  -2.186  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1       -0.718  -1.527  -3.250  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.514  -3.582  -2.470  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1  10
ATOM      4  C   LIG    1        3.552   3.241   0.452  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1        4.052   2.137   1.339  0.00  0.00    +0.217 C 
ATOM      6  N   LIG    1        3.642   0.840   1.116  0.00  0.00    -0.271 N 
ATOM      7  C   LIG    1        2.710   0.276   0.225  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1        2.680  -1.114   0.402  0.00  0.00    -0.023 A 
ATOM      9  C   LIG    1        1.833  -1.934  -0.333  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1        0.982  -1.327  -1.257  0.00  0.00    +0.109 A 
ATOM     11  C   LIG    1        1.012   0.062  -1.461  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        3.674  -1.562   1.425  0.00  0.00    +0.056 C 
ATOM     13  C   LIG    1        1.877   0.870  -0.710  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1        4.179  -0.229   1.972  0.00  0.00    +0.118 C 
ATOM     15  O   LIG    1        4.832   2.412   2.257  0.00  0.00    -0.276 OA
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  N   LIG    1       -1.353  -2.684  -1.045  0.00  0.00    -0.216 N 
ATOM     17  H   LIG    1       -1.682  -3.643  -1.148  0.00  0.00    +0.174 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.317  -1.678  -0.747  0.00  0.00    +0.052 A 
ATOM     19  C   LIG    1       -3.542  -1.619  -1.425  0.00  0.00    -0.028 A 
ATOM     20  C   LIG    1       -3.929  -2.625  -2.470  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1       -4.411  -0.557  -1.137  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -4.066   0.417  -0.194  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -2.845   0.359   0.489  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1       -1.982  -0.706   0.204  0.00  0.00    +0.036 A 
BRANCH  23  25
ATOM     25  C   LIG    1       -2.461   1.381   1.460  0.00  0.00    +0.135 A 
ATOM     26  O   LIG    1       -3.406   2.324   1.759  0.00  0.00    -0.463 OA
ATOM     27  C   LIG    1       -2.862   3.174   2.666  0.00  0.00    +0.196 A 
ATOM     28  C   LIG    1       -1.574   2.801   2.962  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -1.313   1.645   2.185  0.00  0.00    +0.050 A 
ENDBRANCH  23  25
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4