REMARK  Name = BDB053257
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.323  -0.378  -1.602  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -0.932  -1.685  -1.890  0.00  0.00    +0.087 A 
ATOM      3  C   LIG    1       -1.088  -2.654  -0.887  0.00  0.00    -0.027 A 
ATOM      4  C   LIG    1       -0.658  -4.083  -1.089  0.00  0.00    +0.045 C 
ATOM      5  C   LIG    1       -1.641  -2.266   0.342  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -2.038  -0.949   0.545  0.00  0.00    +0.126 A 
ATOM      7  N   LIG    1       -1.862  -0.014  -0.408  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -0.375  -2.031  -3.164  0.00  0.00    +0.102 C 
ATOM      9  N   LIG    1        0.077  -2.339  -4.188  0.00  0.00    -0.191 NA
ENDBRANCH   2   8
BRANCH   6  10
ATOM     10  N   LIG    1       -2.601  -0.482   1.734  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1       -2.651   0.535   1.690  0.00  0.00    +0.155 HD
BRANCH  10  12
ATOM     12  C   LIG    1       -3.263  -1.125   2.721  0.00  0.00    +0.120 A 
ATOM     13  N   LIG    1       -3.842  -2.360   2.599  0.00  0.00    -0.264 N 
ATOM     14  H   LIG    1       -3.889  -2.947   1.776  0.00  0.00    +0.190 HD
ATOM     15  N   LIG    1       -4.450  -2.792   3.717  0.00  0.00    -0.178 NA
ATOM     16  C   LIG    1       -4.311  -1.770   4.570  0.00  0.00    +0.062 A 
ATOM     17  C   LIG    1       -4.883  -1.854   5.935  0.00  0.00    +0.067 C 
ATOM     18  C   LIG    1       -3.595  -0.699   3.987  0.00  0.00    +0.068 A 
ENDBRANCH  10  12
ENDBRANCH   6  10
BRANCH   1  19
ATOM     19  S   LIG    1       -1.168   0.965  -2.775  0.00  0.00    -0.069 S 
BRANCH  19  23
ATOM     20  C   LIG    1        3.131   2.324  -1.859  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        2.831   1.665  -3.052  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        1.520   1.255  -3.329  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1        0.495   1.492  -2.412  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1        0.789   2.158  -1.220  0.00  0.00    +0.017 A 
ATOM     25  C   LIG    1        2.098   2.569  -0.946  0.00  0.00    +0.024 A 
BRANCH  20  28
ATOM     26  C   LIG    1        6.775   3.243  -1.529  0.00  0.00    +0.109 C 
ATOM     27  C   LIG    1        5.590   2.627  -2.231  0.00  0.00    +0.214 C 
ATOM     28  N   LIG    1        4.421   2.771  -1.506  0.00  0.00    -0.286 N 
ATOM     29  H   LIG    1        4.496   3.245  -0.615  0.00  0.00    +0.155 HD
ATOM     30  O   LIG    1        5.727   2.056  -3.306  0.00  0.00    -0.276 OA
ENDBRANCH  20  28
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 6