REMARK  Name = BDB012242
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.443  -2.497  -4.162  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.811  -1.920  -3.146  0.00  0.00    +0.214 C 
ATOM      3  N   LIG    1       -0.017  -1.621  -2.086  0.00  0.00    -0.312 N 
ATOM      4  H   LIG    1        0.396  -1.150  -1.280  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.429  -1.972  -2.077  0.00  0.00    +0.073 C 
ATOM      6  C   LIG    1       -2.244  -0.957  -2.883  0.00  0.00    +0.026 C 
ATOM      7  C   LIG    1       -2.256   0.436  -2.248  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -2.143   0.429  -0.713  0.00  0.00    +0.174 C 
ATOM      9  C   LIG    1       -2.714  -0.868  -0.142  0.00  0.00    +0.046 C 
ATOM     10  C   LIG    1       -1.962  -2.103  -0.642  0.00  0.00    +0.026 C 
BRANCH   8  11
ATOM     11  O   LIG    1       -2.890   1.560  -0.248  0.00  0.00    -0.489 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -2.568   2.143   0.947  0.00  0.00    +0.124 A 
ATOM     13  C   LIG    1       -3.247   3.332   1.212  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1       -2.988   3.999   2.399  0.00  0.00    +0.114 A 
ATOM     15  N   LIG    1       -2.119   3.554   3.331  0.00  0.00    -0.263 NA
ATOM     16  C   LIG    1       -1.485   2.391   3.056  0.00  0.00    +0.114 A 
ATOM     17  C   LIG    1       -1.671   1.657   1.890  0.00  0.00    +0.065 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   2  18
ATOM     18  C   LIG    1        2.244  -1.490  -2.943  0.00  0.00    +0.107 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.107  -2.549  -2.263  0.00  0.00    +0.086 C 
BRANCH  19  20
ATOM     20  S   LIG    1        2.516  -3.270  -0.692  0.00  0.00    -0.087 S 
BRANCH  20  21
ATOM     21  C   LIG    1        2.558  -1.909   0.375  0.00  0.00    +0.170 A 
ATOM     22  N   LIG    1        3.068  -2.214   1.596  0.00  0.00    -0.301 N 
ATOM     23  H   LIG    1        3.365  -3.158   1.785  0.00  0.00    +0.171 HD
ATOM     24  C   LIG    1        3.140  -1.306   2.619  0.00  0.00    +0.260 A 
ATOM     25  O   LIG    1        3.545  -1.607   3.733  0.00  0.00    -0.267 OA
ATOM     26  C   LIG    1        2.691   0.060   2.288  0.00  0.00    +0.065 A 
ATOM     27  C   LIG    1        2.208   0.282   0.994  0.00  0.00    +0.079 A 
ATOM     28  C   LIG    1        1.802   1.571   0.642  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1        1.878   2.615   1.569  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        2.340   2.372   2.865  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        2.750   1.090   3.229  0.00  0.00    +0.015 A 
ATOM     32  N   LIG    1        2.112  -0.746   0.037  0.00  0.00    -0.223 NA
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 7