REMARK  Name = BDB023366
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.789  -0.818  -0.740  0.00  0.00    +0.298 C 
ATOM      2  N   LIG    1       -1.151  -0.084   0.393  0.00  0.00    -0.179 N 
ATOM      3  H   LIG    1       -0.436   0.216   1.050  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -1.590  -1.203  -1.579  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1        5.105  -0.925   0.059  0.00  0.00    -0.042 A 
ATOM      6  C   LIG    1        3.867  -0.478   0.554  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1        2.734  -0.826  -0.178  0.00  0.00    +0.136 A 
ATOM      8  C   LIG    1        2.759  -1.571  -1.349  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        1.406  -1.692  -1.759  0.00  0.00    +0.063 A 
ATOM     10  C   LIG    1        0.639  -1.021  -0.824  0.00  0.00    +0.192 A 
ATOM     11  C   LIG    1        4.000  -2.009  -1.839  0.00  0.00    +0.012 A 
ATOM     12  O   LIG    1        1.455  -0.488   0.143  0.00  0.00    -0.450 OA
ATOM     13  C   LIG    1        5.162  -1.677  -1.125  0.00  0.00    +0.004 A 
BRANCH   5  14
ATOM     14  C   LIG    1        6.376  -0.570   0.792  0.00  0.00    +0.063 C 
BRANCH  14  15
ATOM     15  C   LIG    1        6.996   0.728   0.273  0.00  0.00    +0.164 C 
BRANCH  15  17
ATOM     16  C   LIG    1        9.314   0.432   0.722  0.00  0.00    +0.193 C 
ATOM     17  O   LIG    1        8.120   1.125   1.060  0.00  0.00    -0.383 OA
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH   5  14
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  S   LIG    1       -2.705   0.075   0.947  0.00  0.00    +0.075 S 
ATOM     19  O   LIG    1       -3.293  -1.244   0.915  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1       -2.588   0.825   2.181  0.00  0.00    -0.150 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -3.514   1.148  -0.221  0.00  0.00    +0.116 A 
ATOM     22  C   LIG    1       -4.916   1.132  -0.358  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1       -5.489   1.978  -1.330  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -4.704   2.819  -2.121  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -3.325   2.843  -1.951  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -2.728   2.014  -1.002  0.00  0.00    +0.029 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -5.819   0.328   0.475  0.00  0.00    -0.016 A 
ATOM     28  C   LIG    1       -6.470  -0.799  -0.051  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -7.343  -1.552   0.736  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -7.581  -1.187   2.059  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.947  -0.069   2.596  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -6.073   0.685   1.809  0.00  0.00    +0.008 A 
ENDBRANCH  22  27
ENDBRANCH  18  21
ENDBRANCH   2  18
TORSDOF 7