REMARK  Name = BDB001706
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.084   1.431  -2.603  0.00  0.00    +0.218 C 
ATOM      2  N   LIG    1       -0.020   1.966  -1.908  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.175   2.117  -0.915  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.968   0.855  -3.681  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -2.421   1.604  -1.906  0.00  0.00    +0.134 C 
BRANCH   5   7
ATOM      6  C   LIG    1       -2.136   0.436   0.340  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1       -2.708   0.471  -0.947  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -3.526  -0.591  -1.367  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -3.792  -1.661  -0.516  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.240  -1.683   0.761  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -2.415  -0.640   1.188  0.00  0.00    +0.046 A 
BRANCH   6  13
ATOM     12  C   LIG    1       -0.594   1.400   1.882  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1       -1.330   1.498   0.666  0.00  0.00    -0.495 OA
ENDBRANCH   6  13
ENDBRANCH   5   7
ENDBRANCH   1   5
BRANCH   2  14
ATOM     14  C   LIG    1        1.339   1.652  -2.285  0.00  0.00    +0.160 C 
BRANCH  14  15
ATOM     15  C   LIG    1        1.741   0.402  -1.570  0.00  0.00    +0.066 A 
ATOM     16  N   LIG    1        2.223   0.493  -0.269  0.00  0.00    -0.242 NA
ATOM     17  C   LIG    1        2.495  -0.705   0.210  0.00  0.00    +0.115 A 
ATOM     18  S   LIG    1        2.174  -2.003  -0.876  0.00  0.00    -0.075 S 
ATOM     19  C   LIG    1        1.643  -0.888  -2.056  0.00  0.00    +0.072 A 
BRANCH  17  20
ATOM     20  C   LIG    1        3.013  -0.915   1.545  0.00  0.00    +0.044 A 
ATOM     21  S   LIG    1        3.379   0.419   2.571  0.00  0.00    -0.095 S 
ATOM     22  C   LIG    1        3.888  -0.598   3.845  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        3.787  -1.928   3.514  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        3.284  -2.111   2.191  0.00  0.00    +0.018 A 
ENDBRANCH  17  20
ENDBRANCH  14  15
ENDBRANCH   2  14
TORSDOF 6