REMARK  Name = BDB001197
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.731  -2.748  -0.129  0.00  0.00    +0.112 A 
ATOM      2  C   LIG    1        0.602  -2.208   0.495  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1       -0.535  -1.908  -0.268  0.00  0.00    +0.039 A 
ATOM      4  C   LIG    1       -0.539  -2.187  -1.643  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        0.592  -2.737  -2.254  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        1.730  -3.018  -1.500  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.718  -1.326   0.435  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1       -2.528  -0.516  -0.336  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1       -2.209  -0.305  -1.282  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -1.859  -1.578   1.626  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1       -3.728   0.145   0.038  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -4.381   0.986  -0.893  0.00  0.00    +0.080 A 
ATOM     13  C   LIG    1       -5.571   1.648  -0.535  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -6.122   1.494   0.742  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1       -7.407   2.176   1.106  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -5.486   0.648   1.650  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -4.302  -0.015   1.304  0.00  0.00    +0.024 A 
BRANCH  12  18
ATOM     18  C   LIG    1       -3.823   1.171  -2.262  0.00  0.00    +0.339 C 
ATOM     19  O   LIG    1       -2.828   0.618  -2.701  0.00  0.00    -0.245 OA
BRANCH  18  20
ATOM     20  O   LIG    1       -4.525   2.032  -3.019  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1       -4.048   2.058  -3.875  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  12  18
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   1  22
ATOM     22  S   LIG    1        3.179  -3.102   0.829  0.00  0.00    +0.084 S 
ATOM     23  O   LIG    1        2.806  -4.048   1.863  0.00  0.00    -0.148 OA
ATOM     24  O   LIG    1        4.293  -3.341  -0.068  0.00  0.00    -0.148 OA
BRANCH  22  32
ATOM     25  C   LIG    1        4.662   1.118  -0.684  0.00  0.00    +0.122 A 
ATOM     26  C   LIG    1        4.285  -0.190  -0.349  0.00  0.00    +0.073 A 
ATOM     27  C   LIG    1        3.943  -0.478   0.985  0.00  0.00    +0.076 A 
ATOM     28  C   LIG    1        3.972   0.511   1.975  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        3.565  -0.089   3.201  0.00  0.00    +0.029 A 
ATOM     30  C   LIG    1        3.283  -1.412   2.947  0.00  0.00    +0.113 A 
ATOM     31  C   LIG    1        4.355   1.818   1.620  0.00  0.00    +0.013 A 
ATOM     32  N   LIG    1        3.534  -1.634   1.617  0.00  0.00    -0.218 N 
ATOM     33  C   LIG    1        4.695   2.110   0.292  0.00  0.00    +0.046 A 
BRANCH  25  35
ATOM     34  C   LIG    1        5.420   2.576  -2.406  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1        4.969   1.287  -2.009  0.00  0.00    -0.495 OA
ENDBRANCH  25  35
ENDBRANCH  22  32
ENDBRANCH   1  22
TORSDOF 7