REMARK  Name = BDB033746
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.899  -0.487  -0.633  0.00  0.00    +0.144 A 
ATOM      2  C   LIG    1       -1.782  -1.765  -1.157  0.00  0.00    +0.110 A 
ATOM      3  C   LIG    1       -0.502  -2.260  -1.263  0.00  0.00    +0.136 A 
ATOM      4  N   LIG    1        0.599  -1.580  -0.894  0.00  0.00    -0.221 NA
ATOM      5  C   LIG    1        0.418  -0.345  -0.414  0.00  0.00    +0.221 A 
ATOM      6  N   LIG    1       -0.796   0.214  -0.277  0.00  0.00    -0.198 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -3.299  -0.729   1.913  0.00  0.00    +0.028 C 
ATOM      8  C   LIG    1       -4.032  -0.435   0.599  0.00  0.00    +0.072 C 
ATOM      9  N   LIG    1       -3.146   0.128  -0.456  0.00  0.00    -0.311 N 
ATOM     10  C   LIG    1       -3.122   1.593  -0.530  0.00  0.00    +0.107 C 
ATOM     11  C   LIG    1       -4.508   2.094  -0.950  0.00  0.00    +0.019 C 
ATOM     12  C   LIG    1       -5.652   1.259  -0.372  0.00  0.00    +0.003 C 
ATOM     13  C   LIG    1       -5.212   0.520   0.884  0.00  0.00    +0.022 C 
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  C   LIG    1       -2.880  -2.547  -1.615  0.00  0.00    +0.104 C 
ATOM     15  N   LIG    1       -3.747  -3.226  -1.982  0.00  0.00    -0.191 NA
ENDBRANCH   2  14
BRANCH   5  16
ATOM     16  N   LIG    1        1.480   0.453  -0.003  0.00  0.00    -0.284 N 
ATOM     17  H   LIG    1        1.115   1.340   0.313  0.00  0.00    +0.155 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.871   0.317  -0.040  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        3.533  -0.786  -0.593  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        4.930  -0.879  -0.579  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1        5.682   0.136   0.010  0.00  0.00    +0.105 A 
ATOM     22  C   LIG    1        5.054   1.248   0.566  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        3.658   1.328   0.543  0.00  0.00    +0.025 A 
BRANCH  21  24
ATOM     24  S   LIG    1        7.449   0.010   0.026  0.00  0.00    +0.056 S 
ATOM     25  O   LIG    1        7.998   1.289   0.417  0.00  0.00    -0.153 OA
ATOM     26  O   LIG    1        7.869  -0.686  -1.165  0.00  0.00    -0.153 OA
BRANCH  24  27
ATOM     27  N   LIG    1        7.702  -1.009   1.344  0.00  0.00    -0.204 NA
ATOM     28  H   LIG    1        6.843  -1.425   1.701  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        8.206  -0.493   2.067  0.00  0.00    +0.144 HD
ENDBRANCH  24  27
ENDBRANCH  21  24
ENDBRANCH  16  18
ENDBRANCH   5  16
TORSDOF 6