REMARK  Name = BDB023736
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.016  -0.447   0.456  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1       -1.049   0.074   1.218  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -2.393  -0.517   1.174  0.00  0.00    +0.144 C 
ATOM      4  C   LIG    1       -3.196   0.200   2.261  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1       -2.128   0.654   3.243  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -0.943   1.004   2.340  0.00  0.00    +0.139 C 
ATOM      7  O   LIG    1       -0.229  -1.401  -0.302  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.951  -0.286  -0.238  0.00  0.00    +0.139 C 
ATOM      9  N   LIG    1       -2.825  -1.309  -1.173  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1       -1.924  -1.795  -1.091  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1       -3.132  -0.779  -2.499  0.00  0.00    +0.298 C 
ATOM     12  S   LIG    1       -3.779   0.904  -2.197  0.00  0.00    +0.087 S 
ATOM     13  O   LIG    1       -2.913   1.869  -2.846  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -5.214   0.915  -2.389  0.00  0.00    -0.150 OA
ATOM     15  N   LIG    1       -3.441   0.872  -0.590  0.00  0.00    -0.120 NA
ENDBRANCH   3   8
BRANCH   5  16
ATOM     16  O   LIG    1       -1.807  -0.439   4.103  0.00  0.00    -0.390 OA
ATOM     17  H   LIG    1       -1.142  -0.132   4.743  0.00  0.00    +0.210 HD
ENDBRANCH   5  16
BRANCH   1  18
ATOM     18  C   LIG    1        1.340   0.281   0.500  0.00  0.00    +0.146 C 
BRANCH  18  23
ATOM     19  C   LIG    1        4.763  -3.060  -1.361  0.00  0.00    +0.069 C 
ATOM     20  C   LIG    1        3.991  -2.046  -0.610  0.00  0.00    +0.081 A 
ATOM     21  N   LIG    1        4.510  -1.476   0.482  0.00  0.00    -0.083 NA
ATOM     22  O   LIG    1        3.549  -0.596   0.940  0.00  0.00    -0.359 OA
ATOM     23  C   LIG    1        2.458  -0.638   0.122  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1        2.698  -1.547  -0.881  0.00  0.00    +0.071 A 
ENDBRANCH  18  23
BRANCH  18  25
ATOM     25  C   LIG    1        1.288   1.587  -0.336  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1        1.075   1.363  -1.837  0.00  0.00    +0.008 C 
ATOM     27  C   LIG    1        2.530   2.455  -0.109  0.00  0.00    +0.008 C 
ENDBRANCH  18  25
ENDBRANCH   1  18
TORSDOF 5