REMARK  Name = BDB037106
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.340  -0.217   1.313  0.00  0.00    -0.181 N 
ATOM      2  H   LIG    1       -0.176  -1.053   0.766  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.660   0.747   1.495  0.00  0.00    +0.263 C 
ATOM      4  O   LIG    1        0.563   1.729   2.214  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.907   0.521   0.713  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        2.366  -0.759   0.370  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1        3.546  -0.958  -0.383  0.00  0.00    -0.039 A 
ATOM      8  C   LIG    1        4.255   0.192  -0.811  0.00  0.00    -0.023 A 
ATOM      9  C   LIG    1        3.782   1.475  -0.467  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        2.630   1.638   0.298  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1        3.981  -2.368  -0.739  0.00  0.00    +0.019 C 
ATOM     12  C   LIG    1        5.210  -2.960  -0.084  0.00  0.00    +0.009 C 
ATOM     13  C   LIG    1        3.858  -3.506   0.251  0.00  0.00    +0.009 C 
ENDBRANCH   7  11
BRANCH   8  14
ATOM     14  C   LIG    1        5.486   0.087  -1.692  0.00  0.00    +0.178 C 
BRANCH  14  15
ATOM     15  N   LIG    1        6.631   0.805  -1.140  0.00  0.00    -0.267 N 
ATOM     16  N   LIG    1        7.043   1.959  -1.710  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        8.100   2.315  -0.976  0.00  0.00    +0.134 A 
ATOM     18  C   LIG    1        8.377   1.392   0.049  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        7.415   0.420  -0.087  0.00  0.00    +0.108 A 
ENDBRANCH  14  15
ENDBRANCH   8  14
ENDBRANCH   3   5
BRANCH   1  20
ATOM     20  S   LIG    1       -1.790  -0.295   2.122  0.00  0.00    +0.078 S 
ATOM     21  O   LIG    1       -1.812   0.541   3.298  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -2.034  -1.722   2.232  0.00  0.00    -0.150 OA
BRANCH  20  24
ATOM     23  C   LIG    1       -2.832   1.568   0.344  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1       -2.988   0.337   0.972  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1       -4.128  -0.447   0.705  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1       -5.115  -0.027  -0.204  0.00  0.00    -0.040 A 
ATOM     27  C   LIG    1       -4.914   1.210  -0.844  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -3.787   1.993  -0.580  0.00  0.00    +0.048 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -6.372  -0.861  -0.513  0.00  0.00    -0.013 C 
ATOM     30  C   LIG    1       -6.452  -2.189   0.274  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1       -6.399  -1.219  -2.015  0.00  0.00    +0.015 C 
ATOM     32  C   LIG    1       -7.635  -0.046  -0.162  0.00  0.00    +0.015 C 
ENDBRANCH  26  29
BRANCH  23  34
ATOM     33  C   LIG    1       -2.020   3.430   1.423  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -1.730   2.350   0.529  0.00  0.00    -0.493 OA
ENDBRANCH  23  34
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 8