REMARK  Name = BDB059296
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.745  -1.122   0.214  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.004  -1.329  -1.132  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.515  -0.744  -1.811  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.592  -1.340   1.078  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -1.974   0.614   2.161  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -3.065   0.491   1.296  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1       -2.955  -0.172   0.054  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -1.696  -0.705  -0.290  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1       -0.593  -0.573   0.563  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1       -0.743   0.077   1.790  0.00  0.00    +0.058 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -4.115  -0.305  -0.852  0.00  0.00    +0.160 A 
ATOM     12  N   LIG    1       -3.917  -0.913  -2.039  0.00  0.00    -0.236 NA
ATOM     13  C   LIG    1       -4.988  -1.019  -2.849  0.00  0.00    +0.114 A 
ATOM     14  C   LIG    1       -6.235  -0.546  -2.523  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -6.335   0.057  -1.293  0.00  0.00    +0.114 A 
ATOM     16  N   LIG    1       -5.300   0.192  -0.443  0.00  0.00    -0.236 NA
ENDBRANCH   7  11
BRANCH   5  18
ATOM     17  C   LIG    1       -3.217   1.787   3.818  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -1.982   1.231   3.381  0.00  0.00    -0.495 OA
ENDBRANCH   5  18
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  N   LIG    1        2.493  -1.557  -1.469  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1        2.991  -1.921  -0.643  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1        3.288  -0.168  -2.098  0.00  0.00    +0.074 S 
ATOM     22  O   LIG    1        3.877  -0.539  -3.366  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1        2.366   0.948  -1.996  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1        4.590   0.068  -0.919  0.00  0.00    +0.107 A 
ATOM     25  C   LIG    1        4.301   0.672   0.308  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        5.325   0.864   1.236  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        6.627   0.464   0.931  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.912  -0.127  -0.301  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        5.894  -0.325  -1.233  0.00  0.00    +0.028 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6