REMARK  Name = BDB033729
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.315  -0.252   0.480  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -1.610  -0.275   0.150  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -2.220  -1.479   0.124  0.00  0.00    +0.237 A 
ATOM      4  C   LIG    1       -1.579  -2.662   0.407  0.00  0.00    +0.131 A 
ATOM      5  C   LIG    1       -0.250  -2.534   0.724  0.00  0.00    +0.138 A 
ATOM      6  N   LIG    1        0.399  -1.350   0.763  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        0.268   1.006   0.513  0.00  0.00    -0.310 N 
ATOM      8  H   LIG    1       -0.352   1.602  -0.026  0.00  0.00    +0.149 HD
BRANCH   7  12
ATOM      9  N   LIG    1        4.325   1.798  -0.112  0.00  0.00    -0.181 NA
ATOM     10  C   LIG    1        3.390   2.951  -0.174  0.00  0.00    +0.111 C 
ATOM     11  C   LIG    1        1.983   2.442  -0.481  0.00  0.00    +0.039 C 
ATOM     12  C   LIG    1        1.686   1.078   0.167  0.00  0.00    +0.076 C 
ATOM     13  C   LIG    1        2.552   0.903   1.415  0.00  0.00    +0.039 C 
ATOM     14  C   LIG    1        4.033   0.896   1.041  0.00  0.00    +0.111 C 
BRANCH   9  15
ATOM     15  S   LIG    1        5.967   2.229  -0.331  0.00  0.00    +0.034 S 
ATOM     16  O   LIG    1        6.461   2.711   0.941  0.00  0.00    -0.158 OA
ATOM     17  O   LIG    1        6.030   3.062  -1.514  0.00  0.00    -0.158 OA
BRANCH  15  18
ATOM     18  C   LIG    1        6.727   0.664  -0.737  0.00  0.00    +0.213 C 
BRANCH  18  19
ATOM     19  C   LIG    1        7.389   0.020   0.463  0.00  0.00    +0.183 C 
BRANCH  19  21
ATOM     20  C   LIG    1        7.013  -2.316   0.185  0.00  0.00    +0.194 C 
ATOM     21  O   LIG    1        7.951  -1.249   0.113  0.00  0.00    -0.381 OA
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   9  15
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -2.217  -3.932   0.378  0.00  0.00    +0.106 C 
ATOM     23  N   LIG    1       -2.696  -4.989   0.364  0.00  0.00    -0.191 NA
ENDBRANCH   4  22
BRANCH   3  24
ATOM     24  O   LIG    1       -3.559  -1.544  -0.209  0.00  0.00    -0.475 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -4.169  -0.269  -0.441  0.00  0.00    +0.237 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.660  -0.467  -0.782  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -6.439  -1.121   0.389  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1       -7.561  -0.151   0.753  0.00  0.00    +0.001 C 
ATOM     29  C   LIG    1       -7.769   0.688  -0.494  0.00  0.00    +0.001 C 
ATOM     30  C   LIG    1       -6.351   0.895  -1.000  0.00  0.00    +0.010 C 
ATOM     31  C   LIG    1       -5.795  -1.339  -2.045  0.00  0.00    +0.014 C 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 10