REMARK  Name = BDB028709
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.605  -1.629  -0.216  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.643  -1.314   0.382  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        0.317  -1.038   1.695  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        1.234  -0.672   2.672  0.00  0.00    +0.056 A 
ATOM      5  C   LIG    1        2.580  -0.569   2.272  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        2.938  -0.848   0.934  0.00  0.00    +0.053 A 
ATOM      7  O   LIG    1       -1.024  -1.176   1.865  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.986  -1.229  -0.030  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -1.608  -1.540   0.663  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -0.751  -1.969  -1.554  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1        0.059  -1.850  -2.160  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.210  -1.996  -2.367  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -3.013  -3.040  -1.766  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -1.879  -2.055  -3.779  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -2.137   0.747  -2.301  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -2.918  -0.398  -2.078  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -4.239  -0.248  -1.649  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -4.764   1.031  -1.425  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -3.967   2.161  -1.596  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -2.652   2.019  -2.030  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -0.713   1.088  -4.084  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -0.838   0.645  -2.729  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -5.093  -1.312  -1.551  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -5.362  -1.636  -0.185  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  25
ATOM     25  O   LIG    1        2.258  -1.499  -1.345  0.00  0.00    -0.494 OA
ATOM     26  C   LIG    1        3.623  -1.710  -1.690  0.00  0.00    +0.277 C 
ENDBRANCH   8  25
BRANCH   5  27
ATOM     27  C   LIG    1        3.648  -0.154   3.268  0.00  0.00    +0.195 C 
BRANCH  27  28
ATOM     28  C   LIG    1        3.459   1.322   3.517  0.00  0.00    +0.096 A 
ATOM     29  N   LIG    1        3.184   1.758   4.761  0.00  0.00    -0.176 NA
ATOM     30  N   LIG    1        3.090   3.092   4.625  0.00  0.00    -0.284 N 
ATOM     31  H   LIG    1        2.868   3.647   5.446  0.00  0.00    +0.188 HD
ATOM     32  C   LIG    1        3.322   3.526   3.354  0.00  0.00    +0.105 A 
ATOM     33  C   LIG    1        3.572   2.402   2.606  0.00  0.00    +0.047 A 
ENDBRANCH  27  28
BRANCH  27  34
ATOM     34  O   LIG    1        3.508  -0.930   4.460  0.00  0.00    -0.381 OA
ATOM     35  H   LIG    1        3.435  -0.256   5.167  0.00  0.00    +0.211 HD
ENDBRANCH  27  34
ENDBRANCH   5  27
TORSDOF 9