REMARK  Name = BDB033707
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.401   0.048   0.827  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -1.657   0.106   0.373  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -2.515   0.915   1.026  0.00  0.00    +0.237 A 
ATOM      4  C   LIG    1       -2.161   1.674   2.116  0.00  0.00    +0.131 A 
ATOM      5  C   LIG    1       -0.848   1.558   2.497  0.00  0.00    +0.138 A 
ATOM      6  N   LIG    1        0.044   0.764   1.869  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        0.441  -0.810   0.145  0.00  0.00    -0.310 N 
ATOM      8  H   LIG    1       -0.003  -1.016  -0.744  0.00  0.00    +0.149 HD
BRANCH   7  12
ATOM      9  N   LIG    1        4.605  -1.322  -0.103  0.00  0.00    -0.181 NA
ATOM     10  C   LIG    1        3.962  -0.658  -1.252  0.00  0.00    +0.111 C 
ATOM     11  C   LIG    1        2.464  -0.943  -1.216  0.00  0.00    +0.039 C 
ATOM     12  C   LIG    1        1.860  -0.475   0.115  0.00  0.00    +0.076 C 
ATOM     13  C   LIG    1        2.587  -1.161   1.278  0.00  0.00    +0.039 C 
ATOM     14  C   LIG    1        4.086  -0.895   1.213  0.00  0.00    +0.111 C 
BRANCH   9  15
ATOM     15  S   LIG    1        6.215  -1.809  -0.211  0.00  0.00    +0.032 S 
ATOM     16  O   LIG    1        6.487  -2.183  -1.582  0.00  0.00    -0.158 OA
ATOM     17  O   LIG    1        6.448  -2.747   0.868  0.00  0.00    -0.158 OA
BRANCH  15  19
ATOM     18  C   LIG    1        7.090   0.753  -0.869  0.00  0.00    +0.029 C 
ATOM     19  C   LIG    1        7.160  -0.337   0.177  0.00  0.00    +0.182 C 
ENDBRANCH  15  19
ENDBRANCH   9  15
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  C   LIG    1       -3.065   2.526   2.807  0.00  0.00    +0.106 C 
ATOM     21  N   LIG    1       -3.774   3.237   3.390  0.00  0.00    -0.191 NA
ENDBRANCH   4  20
BRANCH   3  22
ATOM     22  O   LIG    1       -3.827   0.987   0.599  0.00  0.00    -0.469 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -4.134   0.237  -0.585  0.00  0.00    +0.206 C 
ATOM     24  C   LIG    1       -5.460   0.750  -1.188  0.00  0.00    +0.100 C 
ATOM     25  C   LIG    1       -5.549   2.268  -1.302  0.00  0.00    +0.045 C 
ATOM     26  C   LIG    1       -6.518   0.166  -0.248  0.00  0.00    +0.038 C 
ATOM     27  C   LIG    1       -5.960  -1.194   0.179  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -4.482  -1.211  -0.222  0.00  0.00    +0.047 C 
BRANCH  24  29
ATOM     29  O   LIG    1       -5.635   0.188  -2.495  0.00  0.00    -0.385 OA
ATOM     30  H   LIG    1       -6.512   0.458  -2.820  0.00  0.00    +0.210 HD
ENDBRANCH  24  29
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 8