REMARK  Name = BDB025148
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.532  -0.638  -0.286  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.488  -0.995   0.585  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.790  -2.053   1.574  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.742  -1.544   2.668  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.560  -2.663   2.265  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.409  -2.793   1.292  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.082  -1.412   0.801  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.751  -0.968   0.647  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.411  -1.648   0.892  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.396  -0.820   0.611  0.00  0.00    +0.116 A 
ATOM     11  N   LIG    1       -0.900   0.398   0.171  0.00  0.00    -0.323 N 
ATOM     12  C   LIG    1        0.482   0.316   0.186  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        1.510   1.205  -0.141  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.829   0.754   0.006  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.135  -0.539   0.451  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.688  -1.037  -0.160  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.696   1.558  -0.244  0.00  0.00    +0.110 C 
ATOM     18  C   LIG    1       -1.453   2.759   0.662  0.00  0.00    +0.191 C 
ATOM     19  S   LIG    1       -2.561   4.086   0.261  0.00  0.00    -0.029 S 
ATOM     20  O   LIG    1       -3.916   3.632   0.501  0.00  0.00    -0.174 OA
ATOM     21  O   LIG    1       -2.057   5.286   0.900  0.00  0.00    -0.174 OA
ATOM     22  C   LIG    1       -2.326   4.271  -1.494  0.00  0.00    +0.166 C 
ATOM     23  C   LIG    1       -2.490   2.951  -2.229  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1       -1.512   1.881  -1.739  0.00  0.00    +0.028 C 
ENDBRANCH  11  17
BRANCH   1  26
ATOM     25  C   LIG    1        6.199   0.455  -2.257  0.00  0.00    +0.282 C 
ATOM     26  O   LIG    1        5.151   0.140  -1.341  0.00  0.00    -0.453 OA
ENDBRANCH   1  26
BRANCH  10  27
ATOM     27  C   LIG    1       -2.855  -1.185   0.701  0.00  0.00    +0.073 C 
ATOM     28  C   LIG    1       -3.103  -2.171   1.849  0.00  0.00    +0.017 C 
BRANCH  27  29
ATOM     29  C   LIG    1       -3.318  -1.783  -0.637  0.00  0.00    +0.154 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -4.619  -1.262  -1.023  0.00  0.00    -0.271 N 
ATOM     31  N   LIG    1       -4.698  -0.036  -1.578  0.00  0.00    -0.180 NA
ATOM     32  C   LIG    1       -6.010   0.144  -1.752  0.00  0.00    +0.134 A 
ATOM     33  C   LIG    1       -6.763  -0.967  -1.331  0.00  0.00    +0.041 A 
ATOM     34  C   LIG    1       -5.831  -1.865  -0.865  0.00  0.00    +0.108 A 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  10  27
TORSDOF 5