REMARK  Name = BDB033616
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.455   0.095   1.447  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1       -0.784   0.128   0.756  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1       -0.990   1.470   0.514  0.00  0.00    +0.176 A 
ATOM      4  C   LIG    1       -2.088   1.985  -0.155  0.00  0.00    +0.096 A 
ATOM      5  C   LIG    1       -3.049   1.046  -0.564  0.00  0.00    +0.141 A 
ATOM      6  C   LIG    1       -2.898  -0.347  -0.353  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1       -4.006  -1.268  -0.838  0.00  0.00    +0.043 C 
ATOM      8  C   LIG    1       -4.093  -2.643  -0.176  0.00  0.00    +0.008 C 
ATOM      9  C   LIG    1       -2.991  -3.598  -0.624  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1       -1.619  -2.945  -0.660  0.00  0.00    +0.229 C 
ATOM     11  O   LIG    1       -1.432  -2.135   0.500  0.00  0.00    -0.491 OA
ATOM     12  O   LIG    1        0.053   2.183   1.014  0.00  0.00    -0.353 OA
ATOM     13  C   LIG    1       -1.723  -0.812   0.285  0.00  0.00    +0.141 A 
ATOM     14  N   LIG    1        0.968   1.319   1.593  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  15
ATOM     15  N   LIG    1        1.063  -1.075   1.881  0.00  0.00    -0.196 N 
ATOM     16  H   LIG    1        0.642  -1.962   1.609  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        2.658  -1.190   2.359  0.00  0.00    +0.082 S 
ATOM     18  O   LIG    1        2.790  -0.399   3.566  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1        2.968  -2.607   2.386  0.00  0.00    -0.150 OA
BRANCH  17  21
ATOM     20  C   LIG    1        4.597   0.452   1.266  0.00  0.00    +0.154 A 
ATOM     21  C   LIG    1        3.593  -0.487   1.050  0.00  0.00    +0.211 A 
ATOM     22  C   LIG    1        3.341  -0.873  -0.257  0.00  0.00    +0.246 A 
ATOM     23  N   LIG    1        4.004  -0.359  -1.325  0.00  0.00    -0.216 NA
ATOM     24  C   LIG    1        4.976   0.551  -1.095  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        5.716   1.089  -2.282  0.00  0.00    +0.066 C 
ATOM     26  C   LIG    1        5.309   0.970   0.184  0.00  0.00    +0.071 A 
BRANCH  20  28
ATOM     27  C   LIG    1        4.546   2.118   2.863  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1        5.003   0.807   2.523  0.00  0.00    -0.493 OA
ENDBRANCH  20  28
BRANCH  22  29
ATOM     29  O   LIG    1        2.367  -1.819  -0.507  0.00  0.00    -0.478 OA
ATOM     30  C   LIG    1        2.279  -2.208  -1.874  0.00  0.00    +0.279 C 
ENDBRANCH  22  29
ENDBRANCH  17  21
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   5  31
ATOM     31  O   LIG    1       -4.151   1.481  -1.277  0.00  0.00    -0.432 OA
BRANCH  31  32
ATOM     32  C   LIG    1       -4.993   2.373  -0.747  0.00  0.00    +0.262 A 
ATOM     33  S   LIG    1       -6.287   3.002  -1.683  0.00  0.00    -0.037 S 
ATOM     34  C   LIG    1       -6.789   3.940  -0.339  0.00  0.00    +0.070 A 
ATOM     35  C   LIG    1       -5.947   3.709   0.726  0.00  0.00    +0.122 A 
ATOM     36  N   LIG    1       -4.923   2.813   0.492  0.00  0.00    -0.214 NA
ENDBRANCH  31  32
ENDBRANCH   5  31
TORSDOF 7