REMARK  Name = BDB002665
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.820   0.688   0.400  0.00  0.00    -0.198 N 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.031   1.239  -0.665  0.00  0.00    +0.064 A 
ATOM      3  C   LIG    1       -1.252   1.781  -0.492  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1       -1.940   2.325  -1.590  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -1.359   2.320  -2.857  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.092   1.772  -3.036  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.599   1.237  -1.947  0.00  0.00    +0.025 A 
BRANCH   3   8
ATOM      8  C   LIG    1       -1.923   1.791   0.828  0.00  0.00    +0.246 C 
ATOM      9  N   LIG    1       -3.198   1.274   0.833  0.00  0.00    -0.304 N 
ATOM     10  H   LIG    1       -3.628   0.948  -0.024  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -1.357   2.204   1.830  0.00  0.00    -0.270 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -4.007   1.254   2.027  0.00  0.00    +0.179 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -4.955   0.116   1.932  0.00  0.00    +0.122 A 
ATOM     14  O   LIG    1       -5.713   0.037   0.797  0.00  0.00    -0.466 OA
ATOM     15  C   LIG    1       -6.496  -1.066   0.920  0.00  0.00    +0.195 A 
ATOM     16  C   LIG    1       -6.250  -1.701   2.115  0.00  0.00    +0.041 A 
ATOM     17  C   LIG    1       -5.254  -0.938   2.770  0.00  0.00    +0.046 A 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  S   LIG    1        1.917   1.718   1.180  0.00  0.00    +0.075 S 
ATOM     19  O   LIG    1        1.775   3.077   0.698  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1        1.954   1.406   2.595  0.00  0.00    -0.150 OA
BRANCH  18  25
ATOM     21  C   LIG    1        7.168  -0.347  -1.103  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        5.875   0.172  -0.546  0.00  0.00    -0.050 A 
ATOM     23  C   LIG    1        5.217   1.254  -1.146  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        4.014   1.729  -0.621  0.00  0.00    +0.029 A 
ATOM     25  C   LIG    1        3.457   1.107   0.500  0.00  0.00    +0.109 A 
ATOM     26  C   LIG    1        4.113   0.041   1.121  0.00  0.00    +0.029 A 
ATOM     27  C   LIG    1        5.316  -0.427   0.591  0.00  0.00    +0.005 A 
ENDBRANCH  18  25
ENDBRANCH   1  18
BRANCH   1  28
ATOM     28  C   LIG    1        0.396  -0.522   1.126  0.00  0.00    +0.166 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -0.137  -1.626   0.237  0.00  0.00    -0.028 A 
ATOM     30  C   LIG    1       -1.485  -2.006   0.299  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -1.973  -3.019  -0.527  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -1.119  -3.662  -1.421  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        0.223  -3.293  -1.492  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        0.714  -2.280  -0.667  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 8