REMARK  Name = BDB023367
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.726   0.040  -0.035  0.00  0.00    +0.298 C 
ATOM      2  N   LIG    1        1.574  -0.474  -1.023  0.00  0.00    -0.179 N 
ATOM      3  H   LIG    1        1.234  -0.967  -1.839  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1        1.155   0.543   0.993  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -5.213  -0.251   0.202  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -4.016   0.041   0.882  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1       -2.827  -0.114   0.174  0.00  0.00    +0.136 A 
ATOM      8  C   LIG    1       -2.753  -0.535  -1.144  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1       -1.369  -0.551  -1.467  0.00  0.00    +0.063 A 
ATOM     10  C   LIG    1       -0.680  -0.144  -0.335  0.00  0.00    +0.192 A 
ATOM     11  C   LIG    1       -3.947  -0.827  -1.823  0.00  0.00    +0.012 A 
ATOM     12  O   LIG    1       -1.582   0.123   0.664  0.00  0.00    -0.450 OA
ATOM     13  C   LIG    1       -5.163  -0.682  -1.137  0.00  0.00    +0.005 A 
BRANCH   5  14
ATOM     14  C   LIG    1       -6.538  -0.093   0.935  0.00  0.00    +0.016 C 
ATOM     15  C   LIG    1       -7.239  -1.449   1.078  0.00  0.00    +0.012 C 
BRANCH  14  17
ATOM     16  C   LIG    1       -6.916   2.347   0.263  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -7.480   0.931   0.269  0.00  0.00    +0.004 C 
ENDBRANCH  14  17
ENDBRANCH   5  14
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  S   LIG    1        3.200  -0.137  -1.110  0.00  0.00    +0.075 S 
ATOM     19  O   LIG    1        3.330   1.296  -0.994  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1        3.648  -0.846  -2.293  0.00  0.00    -0.150 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.945  -0.956   0.282  0.00  0.00    +0.116 A 
ATOM     22  C   LIG    1        5.192  -0.529   0.779  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        5.713  -1.197   1.906  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        5.033  -2.258   2.505  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        3.817  -2.685   1.985  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        3.273  -2.041   0.874  0.00  0.00    +0.029 A 
BRANCH  22  27
ATOM     27  C   LIG    1        6.002   0.535   0.173  0.00  0.00    -0.016 A 
ATOM     28  C   LIG    1        6.710   0.308  -1.018  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        7.495   1.314  -1.585  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        7.586   2.559  -0.967  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.892   2.800   0.217  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        6.107   1.794   0.784  0.00  0.00    +0.008 A 
ENDBRANCH  22  27
ENDBRANCH  18  21
ENDBRANCH   2  18
TORSDOF 6