REMARK  Name = BDB032875
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.292  -0.698  -0.402  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -0.353  -0.508  -1.390  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1       -0.621  -0.533  -2.363  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1       -1.143  -0.508   0.801  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -3.817  -0.690  -0.212  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.648  -1.115  -0.889  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -2.752  -1.940  -2.025  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -4.003  -2.303  -2.519  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -5.154  -1.855  -1.881  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -5.062  -1.059  -0.735  0.00  0.00    +0.024 A 
BRANCH   5  13
ATOM     11  C   LIG    1       -4.139   1.314   2.979  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -4.689   0.625   1.755  0.00  0.00    +0.214 C 
ATOM     13  N   LIG    1       -3.692   0.080   0.972  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1       -2.734   0.182   1.313  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1       -5.897   0.579   1.549  0.00  0.00    -0.276 OA
ENDBRANCH   5  13
ENDBRANCH   1   6
BRANCH   2  16
ATOM     16  C   LIG    1        0.963  -0.157  -1.226  0.00  0.00    +0.165 A 
ATOM     17  S   LIG    1        1.715  -0.032   0.293  0.00  0.00    -0.052 S 
ATOM     18  C   LIG    1        3.196   0.401  -0.466  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        2.998   0.400  -1.836  0.00  0.00    +0.129 A 
ATOM     20  N   LIG    1        1.725   0.077  -2.268  0.00  0.00    -0.232 NA
BRANCH  18  21
ATOM     21  C   LIG    1        4.413   0.674   0.307  0.00  0.00    -0.010 A 
ATOM     22  C   LIG    1        4.376   1.382   1.518  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        5.549   1.642   2.232  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        6.776   1.199   1.745  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.832   0.498   0.543  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.659   0.239  -0.172  0.00  0.00    +0.009 A 
ENDBRANCH  18  21
ENDBRANCH   2  16
TORSDOF 4