REMARK  Name = BDB064244
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.376  -0.266  -0.111  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.855  -0.719  -0.525  0.00  0.00    -0.300 N 
ATOM      3  H   LIG    1       -0.927  -1.643  -0.937  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1        0.495   0.704   0.637  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.091  -0.158   0.003  0.00  0.00    +0.160 C 
ATOM      6  C   LIG    1       -3.232  -1.130  -0.312  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -3.035  -2.301  -0.636  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -4.503  -0.623  -0.202  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -5.250  -1.267  -0.428  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -4.848   0.703  -0.274  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -6.008   1.042  -0.487  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -3.739   1.704  -0.045  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -2.417   1.202  -0.606  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  15
ATOM     14  C   LIG    1        2.831  -0.739  -0.179  0.00  0.00    +0.084 A 
ATOM     15  C   LIG    1        1.535  -1.020  -0.600  0.00  0.00    +0.065 A 
ATOM     16  C   LIG    1        1.543  -2.105  -1.549  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        2.808  -2.595  -1.787  0.00  0.00    +0.048 A 
ATOM     18  S   LIG    1        3.987  -1.759  -0.889  0.00  0.00    -0.081 S 
BRANCH  14  21
ATOM     19  C   LIG    1        4.439   1.724   2.139  0.00  0.00    +0.109 C 
ATOM     20  C   LIG    1        4.460   0.560   1.178  0.00  0.00    +0.214 C 
ATOM     21  N   LIG    1        3.194   0.258   0.716  0.00  0.00    -0.280 N 
ATOM     22  H   LIG    1        2.414   0.817   1.060  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        5.515  -0.007   0.918  0.00  0.00    -0.276 OA
ENDBRANCH  14  21
ENDBRANCH   1  15
TORSDOF 3