REMARK  Name = BDB001384
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.286  -1.233  -2.736  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.610  -0.554  -1.988  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.424  -0.693  -0.626  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1        0.501   0.295  -0.085  0.00  0.00    +0.192 C 
ATOM      5  C   LIG    1        0.879   1.093  -1.314  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        1.740   2.173  -1.454  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        1.905   2.724  -2.730  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        1.218   2.198  -3.840  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        0.355   1.111  -3.693  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        0.207   0.585  -2.424  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -0.138   1.197   0.979  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -1.337   1.890   0.714  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -1.919   2.723   1.672  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -1.312   2.888   2.913  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -0.124   2.222   3.197  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        0.458   1.386   2.240  0.00  0.00    +0.008 A 
ENDBRANCH   4  11
BRANCH   3  17
ATOM     17  C   LIG    1       -1.028  -1.747   0.168  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.377  -1.383   0.736  0.00  0.00    -0.030 A 
ATOM     19  C   LIG    1       -2.532  -1.134   2.108  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -3.779  -0.787   2.630  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.886  -0.690   1.790  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.747  -0.939   0.426  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.500  -1.284  -0.098  0.00  0.00    +0.005 A 
ENDBRANCH  17  18
ENDBRANCH   3  17
BRANCH   4  24
ATOM     24  O   LIG    1        1.645  -0.372   0.476  0.00  0.00    -0.346 OA
BRANCH  24  25
ATOM     25  C   LIG    1        2.387  -1.247  -0.380  0.00  0.00    +0.188 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.538  -1.811   0.425  0.00  0.00    +0.226 C 
BRANCH  26  27
ATOM     27  S   LIG    1        4.521  -2.946  -0.527  0.00  0.00    +0.082 S 
ATOM     28  O   LIG    1        5.673  -3.351   0.244  0.00  0.00    -0.147 OA
ATOM     29  O   LIG    1        3.668  -3.902  -1.195  0.00  0.00    -0.147 OA
BRANCH  27  30
ATOM     30  O   LIG    1        5.034  -1.931  -1.673  0.00  0.00    -0.254 OA
ATOM     31  H   LIG    1        5.013  -2.406  -2.533  0.00  0.00    +0.244 HD
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 8