REMARK  Name = BDB049185
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.860  -0.886  -0.022  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.667  -1.008  -0.078  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        1.442  -0.385   0.919  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        2.835  -0.469   0.905  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        3.468  -1.177  -0.117  0.00  0.00    +0.094 A 
ATOM      6  C   LIG    1        2.724  -1.815  -1.109  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        1.330  -1.726  -1.089  0.00  0.00    +0.007 A 
BRANCH   5   8
ATOM      8  S   LIG    1        5.243  -1.284  -0.125  0.00  0.00    +0.025 S 
ATOM      9  O   LIG    1        5.652  -1.530   1.247  0.00  0.00    -0.164 OA
ATOM     10  O   LIG    1        5.629  -2.200  -1.183  0.00  0.00    -0.164 OA
BRANCH   8  11
ATOM     11  C   LIG    1        5.835   0.324  -0.596  0.00  0.00    +0.094 A 
ATOM     12  C   LIG    1        5.713   0.730  -1.928  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        6.175   1.991  -2.304  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        6.759   2.833  -1.355  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        6.890   2.416  -0.029  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        6.431   1.156   0.356  0.00  0.00    +0.027 A 
ENDBRANCH   8  11
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  N   LIG    1       -1.553  -2.060   0.590  0.00  0.00    -0.300 NA
ATOM     18  C   LIG    1       -1.280  -2.191   2.020  0.00  0.00    +0.105 C 
ATOM     19  C   LIG    1       -1.352  -3.335  -0.090  0.00  0.00    +0.105 C 
ENDBRANCH   1  17
BRANCH   1  21
ATOM     20  C   LIG    1       -0.984   0.861  -1.943  0.00  0.00    +0.030 C 
ATOM     21  C   LIG    1       -1.513  -0.469  -1.398  0.00  0.00    +0.090 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -2.984  -0.451  -1.318  0.00  0.00    -0.319 N 
ATOM     23  H   LIG    1       -3.361  -1.402  -1.325  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.686   0.320  -0.402  0.00  0.00    +0.205 A 
ATOM     25  C   LIG    1       -5.035  -0.236   0.053  0.00  0.00    +0.297 A 
ATOM     26  O   LIG    1       -5.343  -1.364  -0.325  0.00  0.00    -0.264 OA
ATOM     27  N   LIG    1       -5.788   0.585   0.856  0.00  0.00    -0.260 N 
ATOM     28  C   LIG    1       -7.094   0.137   1.287  0.00  0.00    +0.157 C 
ATOM     29  C   LIG    1       -5.296   1.765   1.378  0.00  0.00    +0.348 A 
ATOM     30  O   LIG    1       -5.956   2.450   2.164  0.00  0.00    -0.245 OA
ATOM     31  N   LIG    1       -4.013   2.129   0.977  0.00  0.00    -0.216 N 
ATOM     32  C   LIG    1       -3.453   3.386   1.441  0.00  0.00    +0.178 C 
ATOM     33  N   LIG    1       -3.250   1.449   0.068  0.00  0.00    -0.147 NA
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 7