REMARK  Name = BDB048260
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.021   2.155   0.555  0.00  0.00    -0.226 NA
ATOM      2  C   LIG    1        1.249   1.945   0.437  0.00  0.00    +0.168 C 
ATOM      3  N   LIG    1        2.170   2.935   0.670  0.00  0.00    -0.249 N 
ATOM      4  C   LIG    1        1.766   4.267   1.067  0.00  0.00    +0.140 C 
ATOM      5  C   LIG    1        3.497   2.603   0.514  0.00  0.00    +0.259 C 
ATOM      6  O   LIG    1        4.457   3.343   0.681  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1        3.618   1.177   0.103  0.00  0.00    +0.078 C 
ATOM      8  C   LIG    1        4.813   0.603  -0.098  0.00  0.00    +0.028 C 
ATOM      9  S   LIG    1        2.060   0.462  -0.018  0.00  0.00    -0.049 S 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -2.804  -0.927  -0.183  0.00  0.00    -0.047 A 
ATOM     11  C   LIG    1       -2.260  -0.749   1.096  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -1.338   0.273   1.339  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -0.929   1.118   0.306  0.00  0.00    +0.067 A 
ATOM     14  C   LIG    1       -1.475   0.950  -0.968  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -2.397  -0.071  -1.215  0.00  0.00    +0.006 A 
BRANCH  10  16
ATOM     16  C   LIG    1       -3.788  -2.037  -0.458  0.00  0.00    +0.035 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -5.080  -2.005   0.369  0.00  0.00    +0.004 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -5.793   0.460   0.388  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1       -6.107  -0.955  -0.071  0.00  0.00    -0.003 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   8  20
ATOM     20  C   LIG    1        5.058  -0.790  -0.487  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1        4.587  -1.310  -1.692  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1        4.878  -2.630  -1.999  0.00  0.00    +0.111 A 
ATOM     23  N   LIG    1        5.603  -3.444  -1.203  0.00  0.00    -0.263 NA
ATOM     24  C   LIG    1        6.057  -2.915  -0.048  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1        5.818  -1.609   0.348  0.00  0.00    +0.027 A 
ENDBRANCH   8  20
TORSDOF 5