REMARK  Name = BDB033709
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.101  -1.618  -1.353  0.00  0.00    +0.237 A 
ATOM      2  C   LIG    1       -2.805  -2.840  -1.911  0.00  0.00    +0.131 A 
ATOM      3  C   LIG    1       -1.466  -3.114  -2.022  0.00  0.00    +0.138 A 
ATOM      4  N   LIG    1       -0.497  -2.268  -1.616  0.00  0.00    -0.221 NA
ATOM      5  C   LIG    1       -0.883  -1.106  -1.073  0.00  0.00    +0.219 A 
ATOM      6  N   LIG    1       -2.163  -0.745  -0.933  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -3.792  -3.766  -2.346  0.00  0.00    +0.106 C 
ATOM      8  N   LIG    1       -4.573  -4.545  -2.708  0.00  0.00    -0.191 NA
ENDBRANCH   2   7
BRANCH   5   9
ATOM      9  N   LIG    1        0.049  -0.191  -0.610  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1       -0.443   0.695  -0.551  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        1.338  -0.162  -1.304  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1        1.899   1.268  -1.238  0.00  0.00    +0.039 C 
ATOM     13  C   LIG    1        3.412   1.260  -1.389  0.00  0.00    +0.111 C 
ATOM     14  N   LIG    1        4.040   0.557  -0.241  0.00  0.00    -0.181 NA
ATOM     15  C   LIG    1        3.216  -0.532   0.354  0.00  0.00    +0.111 C 
ATOM     16  C   LIG    1        2.313  -1.177  -0.686  0.00  0.00    +0.039 C 
BRANCH  14  17
ATOM     17  S   LIG    1        5.701   0.243  -0.440  0.00  0.00    +0.032 S 
ATOM     18  O   LIG    1        5.812  -1.072  -1.039  0.00  0.00    -0.158 OA
ATOM     19  O   LIG    1        6.289   1.394  -1.094  0.00  0.00    -0.158 OA
BRANCH  17  20
ATOM     20  C   LIG    1        6.326   0.161   1.249  0.00  0.00    +0.188 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.969   1.443   1.941  0.00  0.00    +0.012 C 
ATOM     22  C   LIG    1        6.242   1.575   3.421  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        4.827   1.512   2.925  0.00  0.00    +0.005 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  14  17
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   1  24
ATOM     24  O   LIG    1       -4.434  -1.293  -1.198  0.00  0.00    -0.469 OA
BRANCH  24  27
ATOM     25  C   LIG    1       -3.849  -0.084   1.713  0.00  0.00    +0.045 C 
ATOM     26  C   LIG    1       -5.047   0.043   0.786  0.00  0.00    +0.100 C 
ATOM     27  C   LIG    1       -4.710   0.024  -0.718  0.00  0.00    +0.206 C 
ATOM     28  C   LIG    1       -6.018   0.516  -1.346  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1       -6.578   1.540  -0.360  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1       -5.770   1.383   0.934  0.00  0.00    +0.038 C 
BRANCH  26  31
ATOM     31  O   LIG    1       -5.974  -1.000   1.115  0.00  0.00    -0.385 OA
ATOM     32  H   LIG    1       -5.650  -1.812   0.686  0.00  0.00    +0.210 HD
ENDBRANCH  26  31
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 9