REMARK  Name = BDB003128
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.420   0.861   0.960  0.00  0.00    -0.271 OA
ATOM      2  C   LIG    1       -0.412   0.005   0.076  0.00  0.00    +0.267 C 
ATOM      3  N   LIG    1       -1.582  -0.553  -0.421  0.00  0.00    -0.232 N 
ATOM      4  H   LIG    1       -1.595  -0.973  -1.352  0.00  0.00    +0.173 HD
ENDROOT
BRANCH   3   5
ATOM      5  N   LIG    1       -2.787   0.082  -0.061  0.00  0.00    -0.234 N 
ATOM      6  H   LIG    1       -2.743   0.696   0.756  0.00  0.00    +0.173 HD
ATOM      7  C   LIG    1       -3.679   0.362  -1.079  0.00  0.00    +0.239 C 
ATOM      8  O   LIG    1       -3.521  -0.096  -2.213  0.00  0.00    -0.273 OA
BRANCH   7   9
ATOM      9  C   LIG    1       -4.789   1.341  -0.738  0.00  0.00    +0.166 C 
BRANCH   9  10
ATOM     10  S   LIG    1       -5.342   1.275   1.001  0.00  0.00    -0.149 S 
BRANCH  10  11
ATOM     11  C   LIG    1       -6.026  -0.424   1.084  0.00  0.00    +0.097 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -7.355  -0.586   0.351  0.00  0.00    +0.166 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -7.146  -0.690  -1.051  0.00  0.00    -0.394 OA
ATOM     14  H   LIG    1       -8.021  -0.802  -1.464  0.00  0.00    +0.209 HD
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   7   9
ENDBRANCH   3   5
BRANCH   2  15
ATOM     15  C   LIG    1        0.845  -0.565  -0.581  0.00  0.00    +0.326 C 
BRANCH  15  16
ATOM     16  O   LIG    1        2.011   0.036  -0.041  0.00  0.00    -0.482 OA
BRANCH  16  17
ATOM     17  C   LIG    1        3.231  -0.367  -0.527  0.00  0.00    +0.129 A 
ATOM     18  C   LIG    1        4.366   0.264   0.046  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        5.659  -0.099  -0.404  0.00  0.00    -0.014 A 
ATOM     20  C   LIG    1        6.792   0.517   0.154  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        6.664   1.486   1.150  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        5.402   1.851   1.601  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        5.796  -1.071  -1.404  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        4.676  -1.684  -1.960  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        4.267   1.247   1.056  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        3.398  -1.335  -1.524  0.00  0.00    +0.046 A 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 9