REMARK  Name = BDB037148
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.106  -0.168   2.773  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1       -1.002  -1.238   2.946  0.00  0.00    -0.181 N 
ATOM      3  H   LIG    1       -1.634  -1.085   3.730  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.110   0.764   3.562  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        2.408  -1.368   0.195  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1        2.640  -0.175  -0.515  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        1.973   1.000  -0.123  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        1.093   0.992   0.957  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        0.861  -0.197   1.653  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1        1.536  -1.366   1.290  0.00  0.00    +0.059 A 
BRANCH   5  12
ATOM     11  C   LIG    1        2.648  -3.739   0.244  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        3.086  -2.474  -0.245  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1        3.583  -0.130  -1.697  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1        4.729   0.733  -1.439  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        4.823   1.934  -2.052  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.978   2.428  -1.598  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.628   1.551  -0.711  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        5.801   0.455  -0.636  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1       -1.800  -2.098   1.745  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -3.085  -2.471   2.304  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -0.883  -3.134   1.320  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -2.107  -0.917   0.452  0.00  0.00    +0.192 A 
ATOM     23  C   LIG    1       -2.786   0.277   0.777  0.00  0.00    +0.154 A 
ATOM     24  C   LIG    1       -2.953   1.318  -0.163  0.00  0.00    -0.000 A 
ATOM     25  C   LIG    1       -2.461   1.080  -1.454  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1       -1.845  -0.126  -1.802  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1       -1.651  -1.135  -0.855  0.00  0.00    +0.150 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -3.574   2.650   0.220  0.00  0.00    +0.023 C 
ATOM     29  C   LIG    1       -5.069   2.833   0.088  0.00  0.00    +0.009 C 
ATOM     30  C   LIG    1       -4.148   3.612  -0.796  0.00  0.00    +0.009 C 
ENDBRANCH  24  28
BRANCH  23  31
ATOM     31  O   LIG    1       -3.199   0.493   2.071  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -4.594   0.215   2.228  0.00  0.00    +0.277 C 
ENDBRANCH  23  31
BRANCH  27  33
ATOM     33  O   LIG    1       -1.056  -2.325  -1.155  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1       -0.343  -2.436  -2.380  0.00  0.00    +0.277 C 
ENDBRANCH  27  33
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 9