REMARK  Name = BDB003725
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.539  -2.829   1.064  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1        1.394  -3.928   0.868  0.00  0.00    -0.038 A 
ATOM      3  C   LIG    1        0.871  -5.248   0.378  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1        2.756  -3.780   1.172  0.00  0.00    +0.006 A 
ATOM      5  C   LIG    1        3.252  -2.563   1.649  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        2.383  -1.483   1.831  0.00  0.00    +0.106 A 
ATOM      7  C   LIG    1        1.021  -1.613   1.561  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   1   9
ATOM      8  N   LIG    1       -1.396  -2.302  -0.360  0.00  0.00    -0.296 N 
ATOM      9  C   LIG    1       -0.908  -2.927   0.784  0.00  0.00    +0.247 C 
ATOM     10  O   LIG    1       -1.602  -3.527   1.600  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -0.564  -1.616  -1.340  0.00  0.00    +0.132 C 
BRANCH   8  12
ATOM     12  C   LIG    1       -2.841  -2.105  -0.472  0.00  0.00    +0.146 C 
BRANCH  12  16
ATOM     13  C   LIG    1       -3.972   1.795   1.023  0.00  0.00    +0.124 A 
ATOM     14  C   LIG    1       -3.868   1.581  -0.357  0.00  0.00    +0.091 A 
ATOM     15  C   LIG    1       -3.514   0.328  -0.871  0.00  0.00    +0.128 A 
ATOM     16  C   LIG    1       -3.263  -0.734   0.015  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -3.371  -0.511   1.399  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1       -3.724   0.744   1.900  0.00  0.00    +0.046 A 
BRANCH  13  20
ATOM     19  C   LIG    1       -4.401   3.351   2.768  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1       -4.321   3.071   1.376  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
BRANCH  15  21
ATOM     21  O   LIG    1       -3.371   0.048  -2.205  0.00  0.00    -0.495 OA
ATOM     22  C   LIG    1       -3.717   1.074  -3.128  0.00  0.00    +0.277 C 
ENDBRANCH  15  21
ENDBRANCH  12  16
ENDBRANCH   8  12
ENDBRANCH   1   9
BRANCH   6  23
ATOM     23  S   LIG    1        3.012   0.053   2.461  0.00  0.00    +0.059 S 
ATOM     24  O   LIG    1        4.198  -0.239   3.234  0.00  0.00    -0.153 OA
ATOM     25  O   LIG    1        1.904   0.799   3.012  0.00  0.00    -0.153 OA
BRANCH  23  26
ATOM     26  N   LIG    1        3.524   0.826   1.076  0.00  0.00    -0.186 NA
ATOM     27  H   LIG    1        4.505   0.709   0.833  0.00  0.00    +0.148 HD
BRANCH  26  28
ATOM     28  C   LIG    1        2.570   1.160   0.031  0.00  0.00    +0.141 C 
BRANCH  28  29
ATOM     29  C   LIG    1        3.154   2.165  -0.930  0.00  0.00    -0.032 A 
ATOM     30  C   LIG    1        3.598   1.773  -2.201  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        4.153   2.710  -3.074  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        4.275   4.043  -2.685  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        3.846   4.441  -1.420  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        3.291   3.507  -0.545  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  23  26
ENDBRANCH   6  23
TORSDOF 9