REMARK  Name = BDB002696
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.123  -1.491   0.254  0.00  0.00    +0.050 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.853  -0.279  -0.630  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -0.653  -0.449  -2.010  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -0.360   0.644  -2.828  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -0.269   1.921  -2.280  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -0.480   2.108  -0.916  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -0.776   1.018  -0.097  0.00  0.00    +0.004 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  C   LIG    1       -2.570  -1.511   0.748  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -3.569  -2.050  -0.083  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -4.905  -2.076   0.324  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -5.266  -1.558   1.565  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.292  -1.009   2.395  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -2.955  -0.981   1.990  0.00  0.00    +0.004 A 
ENDBRANCH   1   8
BRANCH   1  14
ATOM     14  C   LIG    1       -0.077  -1.670   1.387  0.00  0.00    +0.031 C 
BRANCH  14  15
ATOM     15  C   LIG    1        1.344  -1.955   0.880  0.00  0.00    +0.105 C 
BRANCH  15  17
ATOM     16  C   LIG    1        2.579   0.149   1.276  0.00  0.00    +0.251 C 
ATOM     17  N   LIG    1        2.029  -0.772   0.401  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1        1.768  -0.419  -0.511  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1        2.639  -0.075   2.483  0.00  0.00    -0.270 OA
BRANCH  16  22
ATOM     20  C   LIG    1        3.929   0.617  -1.629  0.00  0.00    +0.045 C 
ATOM     21  C   LIG    1        3.571   1.641  -0.601  0.00  0.00    -0.031 A 
ATOM     22  C   LIG    1        3.013   1.395   0.651  0.00  0.00    +0.077 A 
ATOM     23  S   LIG    1        2.836   2.842   1.563  0.00  0.00    -0.092 S 
ATOM     24  C   LIG    1        3.436   3.804   0.292  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        3.793   3.047  -0.798  0.00  0.00    +0.011 A 
ENDBRANCH  16  22
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 6