REMARK  Name = BDB052640
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.396  -0.912  -1.051  0.00  0.00    +0.106 A 
ATOM      2  C   LIG    1        3.092  -0.611  -0.630  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        2.228  -0.055  -1.559  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1        0.817   0.378  -1.500  0.00  0.00    +0.048 C 
ATOM      5  C   LIG    1        0.488   0.916  -2.873  0.00  0.00    +0.249 C 
ATOM      6  N   LIG    1        1.646   0.764  -3.617  0.00  0.00    -0.281 N 
ATOM      7  H   LIG    1        1.712   1.047  -4.583  0.00  0.00    +0.155 HD
ATOM      8  O   LIG    1       -0.559   1.393  -3.267  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.063   0.256  -0.394  0.00  0.00    +0.039 C 
ATOM     10  C   LIG    1        2.667   0.202  -2.863  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        3.950  -0.077  -3.293  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1        4.829  -0.641  -2.366  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -1.303   0.601  -0.179  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1       -2.129   0.397   0.930  0.00  0.00    -0.011 A 
ATOM     15  C   LIG    1       -3.400   0.969   0.623  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1       -4.638   1.077   1.390  0.00  0.00    +0.165 C 
ATOM     17  C   LIG    1       -5.782   1.834   0.714  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1       -5.756   1.711  -0.818  0.00  0.00    +0.014 C 
ATOM     19  C   LIG    1       -4.407   2.138  -1.417  0.00  0.00    +0.054 C 
ATOM     20  O   LIG    1       -4.744   0.650   2.537  0.00  0.00    -0.292 OA
ATOM     21  C   LIG    1       -3.318   1.469  -0.658  0.00  0.00    +0.027 A 
ATOM     22  N   LIG    1       -2.057   1.249  -1.131  0.00  0.00    -0.358 N 
ATOM     23  H   LIG    1       -1.734   1.516  -2.057  0.00  0.00    +0.166 HD
BRANCH  14  24
ATOM     24  C   LIG    1       -1.768  -0.290   2.216  0.00  0.00    +0.049 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -1.333   0.696   3.295  0.00  0.00    +0.125 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -0.941  -0.029   4.549  0.00  0.00    +0.305 C 
ATOM     27  O   LIG    1       -0.736  -1.224   4.681  0.00  0.00    -0.251 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -0.779   0.811   5.591  0.00  0.00    -0.481 OA
ATOM     29  H   LIG    1       -0.528   0.223   6.333  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  14  24
ENDBRANCH   9  13
BRANCH   1  30
ATOM     30  S   LIG    1        5.551  -1.596   0.114  0.00  0.00    +0.058 S 
ATOM     31  O   LIG    1        5.029  -1.409   1.449  0.00  0.00    -0.153 OA
ATOM     32  O   LIG    1        6.870  -1.140  -0.262  0.00  0.00    -0.153 OA
BRANCH  30  34
ATOM     33  C   LIG    1        4.458  -4.051   0.361  0.00  0.00    +0.127 C 
ATOM     34  N   LIG    1        5.492  -3.231  -0.259  0.00  0.00    -0.193 NA
ATOM     35  H   LIG    1        6.420  -3.636  -0.379  0.00  0.00    +0.148 HD
ENDBRANCH  30  34
ENDBRANCH   1  30
TORSDOF 7