REMARK  Name = BDB043080
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.887  -1.438  -1.886  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1        0.453  -1.071  -1.448  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1       -0.168  -0.235  -2.116  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -0.052  -1.512  -0.240  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1        0.448  -2.601   0.602  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1       -0.418  -2.506   1.859  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1       -1.776  -2.067   1.314  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1       -2.654  -1.415   2.384  0.00  0.00    +0.021 C 
ATOM      9  C   LIG    1       -3.593  -0.381   1.766  0.00  0.00    +0.085 C 
ATOM     10  N   LIG    1       -2.897   0.703   1.060  0.00  0.00    -0.300 NA
ATOM     11  C   LIG    1       -1.533   0.352   0.613  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1        1.928  -2.499   0.946  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1        2.826  -3.085  -0.138  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1       -1.411  -1.118   0.160  0.00  0.00    +0.094 C 
ATOM     15  C   LIG    1        2.340  -2.861  -1.567  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1        4.062  -0.245  -1.924  0.00  0.00    +0.230 C 
ATOM     17  N   LIG    1        2.786  -0.383  -1.419  0.00  0.00    -0.303 N 
ATOM     18  H   LIG    1        2.337   0.460  -1.077  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1        4.582  -1.064  -2.678  0.00  0.00    -0.274 OA
BRANCH  16  20
ATOM     20  C   LIG    1        4.783   1.040  -1.459  0.00  0.00    +0.137 C 
ATOM     21  C   LIG    1        4.358   2.198  -2.357  0.00  0.00    +0.034 C 
BRANCH  20  23
ATOM     22  C   LIG    1        6.759   0.028  -0.471  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1        6.250   0.881  -1.539  0.00  0.00    -0.309 NA
ATOM     24  H   LIG    1        6.455   0.426  -2.435  0.00  0.00    +0.122 HD
ENDBRANCH  20  23
ENDBRANCH  16  20
ENDBRANCH   1  17
BRANCH  10  25
ATOM     25  C   LIG    1       -2.894   1.980   1.795  0.00  0.00    +0.089 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.253   2.706   1.790  0.00  0.00    +0.059 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.559   3.364   0.476  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -5.151   2.847  -0.667  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -5.624   1.454  -0.888  0.00  0.00    +0.066 C 
ATOM     30  N   LIG    1       -5.301   3.752  -1.708  0.00  0.00    -0.252 NA
ATOM     31  C   LIG    1       -4.815   4.920  -1.356  0.00  0.00    +0.156 A 
ATOM     32  S   LIG    1       -4.171   5.021   0.225  0.00  0.00    -0.080 S 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 6