REMARK  Name = BDB033710
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.435   0.067   1.062  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -2.689  -0.115   0.637  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -3.681   0.336   1.433  0.00  0.00    +0.237 A 
ATOM      4  C   LIG    1       -3.464   0.978   2.630  0.00  0.00    +0.131 A 
ATOM      5  C   LIG    1       -2.144   1.125   2.974  0.00  0.00    +0.138 A 
ATOM      6  N   LIG    1       -1.123   0.681   2.210  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -0.445  -0.430   0.228  0.00  0.00    -0.310 N 
ATOM      8  H   LIG    1       -0.897  -0.560  -0.672  0.00  0.00    +0.149 HD
BRANCH   7  12
ATOM      9  N   LIG    1        3.618   0.642   0.058  0.00  0.00    -0.181 NA
ATOM     10  C   LIG    1        2.859   0.759  -1.205  0.00  0.00    +0.111 C 
ATOM     11  C   LIG    1        1.519   0.035  -1.129  0.00  0.00    +0.039 C 
ATOM     12  C   LIG    1        0.816   0.314   0.204  0.00  0.00    +0.076 C 
ATOM     13  C   LIG    1        1.706  -0.082   1.397  0.00  0.00    +0.039 C 
ATOM     14  C   LIG    1        3.146  -0.386   1.000  0.00  0.00    +0.111 C 
BRANCH   9  15
ATOM     15  S   LIG    1        5.275   0.997   0.011  0.00  0.00    +0.032 S 
ATOM     16  O   LIG    1        5.724   1.120   1.381  0.00  0.00    -0.158 OA
ATOM     17  O   LIG    1        5.446   2.075  -0.940  0.00  0.00    -0.158 OA
BRANCH  15  18
ATOM     18  C   LIG    1        5.957  -0.511  -0.685  0.00  0.00    +0.188 C 
BRANCH  18  20
ATOM     19  C   LIG    1        8.266  -0.409   0.416  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1        7.480  -0.526  -0.888  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1        7.965   0.507  -1.904  0.00  0.00    +0.009 C 
ENDBRANCH  18  20
ENDBRANCH  15  18
ENDBRANCH   9  15
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -4.511   1.460   3.461  0.00  0.00    +0.106 C 
ATOM     23  N   LIG    1       -5.353   1.859   4.153  0.00  0.00    -0.191 NA
ENDBRANCH   4  22
BRANCH   3  24
ATOM     24  O   LIG    1       -4.993   0.179   1.023  0.00  0.00    -0.469 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -5.173  -0.637  -0.152  0.00  0.00    +0.206 C 
ATOM     26  C   LIG    1       -6.647  -1.097  -0.189  0.00  0.00    +0.100 C 
ATOM     27  C   LIG    1       -6.874  -2.259  -1.157  0.00  0.00    +0.045 C 
ATOM     28  C   LIG    1       -7.384   0.167  -0.637  0.00  0.00    +0.038 C 
ATOM     29  C   LIG    1       -6.437   0.856  -1.618  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1       -5.053   0.227  -1.411  0.00  0.00    +0.047 C 
BRANCH  26  31
ATOM     31  O   LIG    1       -7.103  -1.515   1.094  0.00  0.00    -0.385 OA
ATOM     32  H   LIG    1       -6.849  -0.817   1.727  0.00  0.00    +0.210 HD
ENDBRANCH  26  31
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 9