REMARK  Name = BDB062353
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.938  -0.759  -3.725  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1        2.553  -0.510  -2.689  0.00  0.00    +0.310 C 
ATOM      3  N   LIG    1        3.874  -0.177  -2.807  0.00  0.00    -0.248 N 
ATOM      4  H   LIG    1        4.236  -0.168  -3.748  0.00  0.00    +0.158 HD
ATOM      5  N   LIG    1        2.034  -0.532  -1.422  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1        2.693  -0.287  -0.687  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        4.723   0.135  -1.787  0.00  0.00    +0.167 A 
ATOM      8  S   LIG    1        6.312   0.502  -2.265  0.00  0.00    -0.052 S 
ATOM      9  C   LIG    1        6.733   0.760  -0.613  0.00  0.00    +0.044 A 
ATOM     10  C   LIG    1        5.603   0.540   0.181  0.00  0.00    +0.081 A 
ATOM     11  C   LIG    1        5.716   0.695   1.579  0.00  0.00    +0.032 A 
ATOM     12  C   LIG    1        6.942   1.062   2.144  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        8.044   1.273   1.325  0.00  0.00    +0.118 A 
ATOM     14  C   LIG    1        7.969   1.129  -0.060  0.00  0.00    +0.062 A 
ATOM     15  N   LIG    1        4.453   0.182  -0.506  0.00  0.00    -0.225 NA
BRANCH  13  16
ATOM     16  O   LIG    1        9.252   1.631   1.848  0.00  0.00    -0.507 OA
ATOM     17  H   LIG    1        9.174   1.696   2.814  0.00  0.00    +0.292 HD
ENDBRANCH  13  16
ENDBRANCH   3   7
BRANCH   5  18
ATOM     18  C   LIG    1        0.724  -0.841  -1.014  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1       -0.301  -1.211  -1.886  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -1.583  -1.502  -1.399  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1       -1.852  -1.417  -0.029  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1       -0.823  -1.064   0.850  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1        0.454  -0.774   0.359  0.00  0.00    +0.024 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -3.197  -1.717   0.537  0.00  0.00    +0.244 C 
ATOM     25  N   LIG    1       -4.271  -1.509  -0.301  0.00  0.00    -0.307 N 
ATOM     26  H   LIG    1       -4.133  -0.971  -1.144  0.00  0.00    +0.149 HD
ATOM     27  O   LIG    1       -3.303  -2.095   1.698  0.00  0.00    -0.270 OA
BRANCH  25  28
ATOM     28  C   LIG    1       -5.632  -1.621   0.176  0.00  0.00    +0.139 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -6.211  -0.260   0.466  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -7.023   0.390  -0.474  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -7.537   1.660  -0.205  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -7.239   2.294   1.001  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.426   1.660   1.938  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -5.912   0.390   1.671  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  21  24
ENDBRANCH   5  18
TORSDOF 6