REMARK  Name = BDB033656
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.015  -0.070   1.402  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        0.111  -0.879   2.547  0.00  0.00    -0.046 A 
ATOM      3  C   LIG    1       -1.026  -1.708   3.077  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1        1.358  -0.966   3.179  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        2.467  -0.270   2.691  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.359   0.558   1.568  0.00  0.00    -0.039 A 
ATOM      7  C   LIG    1        1.098   0.670   0.958  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -1.290  -0.013   0.585  0.00  0.00    +0.145 C 
BRANCH   8  19
ATOM      9  C   LIG    1       -3.830  -1.375  -1.274  0.00  0.00    +0.189 C 
ATOM     10  O   LIG    1       -3.572  -0.017  -1.653  0.00  0.00    -0.486 OA
ATOM     11  C   LIG    1       -2.613   0.141  -2.615  0.00  0.00    +0.147 A 
ATOM     12  C   LIG    1       -1.384  -0.519  -2.706  0.00  0.00    +0.147 A 
ATOM     13  C   LIG    1       -0.500  -0.209  -3.753  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1       -0.834   0.763  -4.696  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -2.046   1.436  -4.595  0.00  0.00    +0.004 A 
ATOM     16  S   LIG    1       -0.799  -1.687  -1.501  0.00  0.00    +0.065 S 
ATOM     17  O   LIG    1        0.616  -1.425  -1.302  0.00  0.00    -0.153 OA
ATOM     18  O   LIG    1       -1.245  -2.994  -1.935  0.00  0.00    -0.153 OA
ATOM     19  N   LIG    1       -1.613  -1.310  -0.064  0.00  0.00    -0.169 NA
ATOM     20  C   LIG    1       -2.925   1.130  -3.556  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1       -3.049  -1.702   0.007  0.00  0.00    +0.154 C 
BRANCH   9  23
ATOM     22  C   LIG    1       -5.998  -0.578  -0.108  0.00  0.00    +0.007 C 
ATOM     23  C   LIG    1       -5.350  -1.544  -1.093  0.00  0.00    +0.042 C 
ENDBRANCH   9  23
ENDBRANCH   8  19
ENDBRANCH   1   8
BRANCH   6  24
ATOM     24  C   LIG    1        3.558   1.265   0.927  0.00  0.00    +0.066 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.683   1.597   1.904  0.00  0.00    -0.002 A 
ATOM     26  S   LIG    1        6.003   0.534   2.203  0.00  0.00    -0.101 S 
ATOM     27  C   LIG    1        6.712   1.612   3.323  0.00  0.00    +0.045 A 
ATOM     28  C   LIG    1        5.971   2.760   3.475  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        4.804   2.752   2.659  0.00  0.00    +0.012 A 
ENDBRANCH  24  25
BRANCH  24  30
ATOM     30  C   LIG    1        4.029   0.496  -0.322  0.00  0.00    +0.133 C 
BRANCH  30  31
ATOM     31  C   LIG    1        3.377   1.053  -1.557  0.00  0.00    +0.306 C 
ATOM     32  O   LIG    1        3.713   2.112  -2.070  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1        2.370   0.318  -2.060  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1        2.078  -0.474  -1.540  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  24  30
ENDBRANCH   6  24
TORSDOF 8