REMARK  Name = BDB034046
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.587   1.032  -0.605  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -0.799   3.159  -1.628  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -1.038   2.392  -0.507  0.00  0.00    -0.311 N 
ATOM      4  H   LIG    1       -0.965   2.829   0.405  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1       -1.023   2.766  -2.767  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1        0.040   5.354  -2.539  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -0.244   4.529  -1.296  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1       -1.312   0.226   0.678  0.00  0.00    +0.086 C 
BRANCH   8   9
ATOM      9  C   LIG    1        0.157  -0.002   0.885  0.00  0.00    +0.081 A 
ATOM     10  S   LIG    1        1.034   0.936   2.025  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1        2.473   0.080   1.623  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        2.177  -0.869   0.645  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1        3.215  -1.688   0.164  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        4.513  -1.539   0.669  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        4.804  -0.585   1.651  0.00  0.00    -0.044 A 
ATOM     16  C   LIG    1        3.772   0.239   2.138  0.00  0.00    +0.021 A 
ATOM     17  N   LIG    1        0.854  -0.909   0.236  0.00  0.00    -0.244 NA
BRANCH  15  18
ATOM     18  C   LIG    1        6.226  -0.456   2.172  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        6.308  -0.770   3.668  0.00  0.00    +0.012 C 
ATOM     20  C   LIG    1        6.812   0.926   1.872  0.00  0.00    +0.012 C 
ENDBRANCH  15  18
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   1  21
ATOM     21  C   LIG    1       -3.100   1.095  -0.924  0.00  0.00    +0.126 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.671  -0.187  -1.293  0.00  0.00    -0.312 N 
ATOM     23  H   LIG    1       -3.547  -0.510  -2.245  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1       -4.331  -0.999  -0.389  0.00  0.00    +0.233 C 
ATOM     25  O   LIG    1       -4.479  -0.657   0.786  0.00  0.00    -0.274 OA
BRANCH  24  26
ATOM     26  C   LIG    1       -4.867  -2.338  -1.023  0.00  0.00    +0.094 C 
ATOM     27  C   LIG    1       -3.917  -3.196  -1.900  0.00  0.00    +0.031 C 
ATOM     28  C   LIG    1       -4.512  -4.463  -1.256  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -5.020  -3.578  -0.102  0.00  0.00    +0.031 C 
BRANCH  26  30
ATOM     30  N   LIG    1       -6.137  -2.164  -1.764  0.00  0.00    -0.317 NA
ATOM     31  H   LIG    1       -6.909  -1.905  -1.147  0.00  0.00    +0.119 HD
ATOM     32  H   LIG    1       -6.098  -1.421  -2.461  0.00  0.00    +0.119 HD
ENDBRANCH  26  30
ENDBRANCH  24  26
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 9