REMARK  Name = BDB039710
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.610  -1.438  -2.642  0.00  0.00    +0.298 C 
ATOM      2  N   LIG    1       -1.374  -1.828  -1.537  0.00  0.00    -0.179 N 
ATOM      3  H   LIG    1       -1.051  -1.543  -0.619  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.918  -1.662  -3.802  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1        3.873   1.195   0.317  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        2.681   0.446   0.379  0.00  0.00    +0.070 A 
ATOM      7  C   LIG    1        2.042   0.097  -0.812  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1        2.498   0.443  -2.073  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        1.565  -0.103  -2.990  0.00  0.00    +0.063 A 
ATOM     10  C   LIG    1        0.589  -0.734  -2.241  0.00  0.00    +0.192 A 
ATOM     11  C   LIG    1        3.673   1.197  -2.161  0.00  0.00    +0.013 A 
ATOM     12  O   LIG    1        0.888  -0.619  -0.906  0.00  0.00    -0.450 OA
ATOM     13  C   LIG    1        4.330   1.562  -0.968  0.00  0.00    +0.024 A 
BRANCH   5  15
ATOM     14  C   LIG    1        4.288   0.861   2.724  0.00  0.00    +0.129 C 
ATOM     15  N   LIG    1        4.545   1.594   1.483  0.00  0.00    -0.336 N 
ATOM     16  C   LIG    1        5.874   2.194   1.375  0.00  0.00    +0.129 C 
ENDBRANCH   5  15
ENDBRANCH   1  10
BRANCH   2  17
ATOM     17  S   LIG    1       -2.897  -2.455  -1.667  0.00  0.00    +0.075 S 
ATOM     18  O   LIG    1       -2.738  -3.877  -1.898  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1       -3.718  -1.639  -2.532  0.00  0.00    -0.150 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -3.561  -2.273  -0.012  0.00  0.00    +0.116 A 
ATOM     21  C   LIG    1       -3.527  -1.049   0.691  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1       -4.081  -1.030   1.988  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -4.640  -2.173   2.566  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.660  -3.369   1.859  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -4.124  -3.421   0.574  0.00  0.00    +0.029 A 
BRANCH  21  26
ATOM     26  C   LIG    1       -2.944   0.203   0.180  0.00  0.00    -0.016 A 
ATOM     27  C   LIG    1       -3.546   0.920  -0.863  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -2.969   2.096  -1.351  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -1.792   2.583  -0.789  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -1.195   1.901   0.267  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -1.769   0.723   0.751  0.00  0.00    +0.008 A 
ENDBRANCH  21  26
ENDBRANCH  17  20
ENDBRANCH   2  17
TORSDOF 5