REMARK  Name = BDB041500
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.272  -1.507  -0.644  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1       -0.145  -1.271  -1.960  0.00  0.00    -0.181 N 
ATOM      3  H   LIG    1        0.417  -0.713  -2.592  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.486  -1.797   0.268  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        3.511  -0.933   1.214  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1        4.460  -1.001   0.178  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        4.030  -1.242  -1.139  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        2.678  -1.421  -1.428  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        1.733  -1.352  -0.400  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1        2.156  -1.113   0.918  0.00  0.00    +0.059 A 
BRANCH   5  12
ATOM     11  C   LIG    1        3.083  -0.644   3.546  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        4.009  -0.683   2.465  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1        5.934  -0.791   0.441  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1        6.331   0.580   0.151  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.841   0.898  -1.060  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.108   2.202  -0.957  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.784   2.720   0.310  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.288   1.645   1.009  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1       -1.736  -1.329  -2.463  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -1.749  -0.691  -3.766  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.171  -2.701  -2.323  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -2.595  -0.261  -1.361  0.00  0.00    +0.192 A 
ATOM     23  C   LIG    1       -3.744  -0.664  -0.706  0.00  0.00    +0.154 A 
ATOM     24  O   LIG    1       -4.361  -1.882  -0.822  0.00  0.00    -0.489 OA
ATOM     25  C   LIG    1       -5.658  -1.694  -0.215  0.00  0.00    +0.240 C 
ATOM     26  C   LIG    1       -5.555  -0.546   0.805  0.00  0.00    +0.028 C 
ATOM     27  C   LIG    1       -6.848   0.267   0.868  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1       -5.178  -1.068   2.197  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1       -4.401   0.181   0.190  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -3.934   1.462   0.441  0.00  0.00    +0.011 A 
ATOM     31  C   LIG    1       -2.794   1.895  -0.237  0.00  0.00    +0.048 A 
ATOM     32  C   LIG    1       -2.139   1.048  -1.148  0.00  0.00    +0.150 A 
BRANCH  32  33
ATOM     33  O   LIG    1       -1.000   1.499  -1.769  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1       -1.309   2.515  -2.728  0.00  0.00    +0.277 C 
ENDBRANCH  32  33
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 7