REMARK  Name = BDB041501
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.099  -1.556  -0.251  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1       -0.215  -1.595  -1.615  0.00  0.00    -0.181 N 
ATOM      3  H   LIG    1        0.430  -1.225  -2.304  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.734  -1.578   0.641  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        3.288  -0.761   1.627  0.00  0.00    -0.020 A 
ATOM      6  C   LIG    1        4.280  -1.195   0.724  0.00  0.00    -0.019 A 
ATOM      7  C   LIG    1        3.885  -1.768  -0.501  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1        2.535  -1.901  -0.833  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        1.551  -1.461   0.057  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1        1.933  -0.898   1.282  0.00  0.00    +0.021 A 
BRANCH   5  12
ATOM     11  C   LIG    1        3.166  -0.590   4.086  0.00  0.00    +0.009 C 
ATOM     12  C   LIG    1        3.629  -0.140   2.913  0.00  0.00    +0.000 C 
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1        5.760  -1.069   1.024  0.00  0.00    +0.179 C 
BRANCH  13  14
ATOM     14  N   LIG    1        6.309   0.183   0.519  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.504   1.227   1.353  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.040   2.165   0.569  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.213   1.724  -0.755  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.744   0.432  -0.755  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1       -1.772  -1.645  -2.217  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -1.649  -1.300  -3.622  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.329  -2.923  -1.833  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -2.603  -0.309  -1.431  0.00  0.00    +0.192 A 
ATOM     23  C   LIG    1       -3.813  -0.484  -0.786  0.00  0.00    +0.154 A 
ATOM     24  O   LIG    1       -4.518  -1.655  -0.685  0.00  0.00    -0.489 OA
ATOM     25  C   LIG    1       -5.824  -1.254  -0.216  0.00  0.00    +0.240 C 
ATOM     26  C   LIG    1       -5.683   0.077   0.543  0.00  0.00    +0.028 C 
ATOM     27  C   LIG    1       -6.908   0.968   0.347  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1       -5.418  -0.157   2.035  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1       -4.445   0.576  -0.135  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -3.890   1.846  -0.127  0.00  0.00    +0.011 A 
ATOM     31  C   LIG    1       -2.686   2.046  -0.803  0.00  0.00    +0.048 A 
ATOM     32  C   LIG    1       -2.054   0.980  -1.469  0.00  0.00    +0.150 A 
BRANCH  32  33
ATOM     33  O   LIG    1       -0.852   1.207  -2.094  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1       -1.024   2.030  -3.251  0.00  0.00    +0.277 C 
ENDBRANCH  32  33
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 7