REMARK  Name = BDB000244
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.072   0.589  -1.434  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1        1.656   0.512  -0.811  0.00  0.00    +0.237 C 
ATOM      3  O   LIG    1        1.405  -0.223   0.147  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        0.688   1.308  -1.394  0.00  0.00    -0.276 N 
ATOM      5  C   LIG    1        0.911   2.081  -2.599  0.00  0.00    +0.135 C 
ATOM      6  S   LIG    1       -0.534   3.168  -2.801  0.00  0.00    -0.136 S 
ATOM      7  C   LIG    1       -1.282   2.695  -1.220  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1        1.134   1.230  -3.856  0.00  0.00    +0.034 C 
ATOM      9  C   LIG    1        1.878  -0.093  -3.648  0.00  0.00    +0.005 C 
ATOM     10  C   LIG    1       -0.674   1.348  -0.848  0.00  0.00    +0.173 C 
ATOM     11  C   LIG    1        3.166  -0.035  -2.831  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1        4.623   0.673   0.479  0.00  0.00    +0.230 C 
ATOM     13  N   LIG    1        4.009  -0.061  -0.520  0.00  0.00    -0.303 N 
ATOM     14  H   LIG    1        3.785  -1.021  -0.285  0.00  0.00    +0.149 HD
ATOM     15  O   LIG    1        4.571   1.901   0.536  0.00  0.00    -0.274 OA
BRANCH  12  16
ATOM     16  C   LIG    1        5.345  -0.185   1.544  0.00  0.00    +0.137 C 
ATOM     17  C   LIG    1        4.380  -0.383   2.713  0.00  0.00    +0.034 C 
BRANCH  16  19
ATOM     18  C   LIG    1        7.352  -0.168   2.957  0.00  0.00    +0.101 C 
ATOM     19  N   LIG    1        6.609   0.487   1.896  0.00  0.00    -0.309 NA
ATOM     20  H   LIG    1        6.400   1.457   2.149  0.00  0.00    +0.122 HD
ENDBRANCH  16  19
ENDBRANCH  12  16
ENDBRANCH   1  13
BRANCH  10  21
ATOM     21  C   LIG    1       -1.543   0.195  -1.373  0.00  0.00    +0.240 C 
ATOM     22  N   LIG    1       -2.701  -0.190  -0.760  0.00  0.00    -0.269 N 
ATOM     23  H   LIG    1       -3.159  -0.924  -1.292  0.00  0.00    +0.156 HD
ATOM     24  O   LIG    1       -1.244  -0.421  -2.404  0.00  0.00    -0.273 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -3.337   0.264   0.387  0.00  0.00    +0.129 A 
ATOM     26  N   LIG    1       -4.512  -0.336   0.882  0.00  0.00    -0.218 N 
ATOM     27  N   LIG    1       -5.131   0.473   1.782  0.00  0.00    -0.170 NA
ATOM     28  C   LIG    1       -4.231   1.410   2.075  0.00  0.00    +0.062 A 
ATOM     29  C   LIG    1       -4.517   2.415   3.127  0.00  0.00    +0.067 C 
ATOM     30  C   LIG    1       -3.091   1.311   1.252  0.00  0.00    +0.068 A 
BRANCH  26  31
ATOM     31  C   LIG    1       -5.083  -1.609   0.584  0.00  0.00    +0.067 A 
ATOM     32  C   LIG    1       -4.307  -2.671   0.098  0.00  0.00    +0.028 A 
ATOM     33  C   LIG    1       -4.902  -3.906  -0.177  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1       -6.265  -4.095   0.045  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -7.036  -3.055   0.560  0.00  0.00    +0.002 A 
ATOM     36  C   LIG    1       -6.448  -1.820   0.839  0.00  0.00    +0.028 A 
ENDBRANCH  26  31
ENDBRANCH  22  25
ENDBRANCH  10  21
TORSDOF 6