REMARK  Name = LIG000282
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.546  -0.165  -0.362  0.00  0.00    -0.239 N 
ATOM      2  N   LIG    1        1.822  -0.017   0.761  0.00  0.00    -0.064 NA
ATOM      3  N   LIG    1        0.602   0.358   0.400  0.00  0.00    -0.129 NA
ATOM      4  C   LIG    1        0.562   0.435  -0.966  0.00  0.00    +0.117 A 
ATOM      5  C   LIG    1        1.801   0.110  -1.472  0.00  0.00    +0.139 A 
ENDROOT
BRANCH   1  12
ATOM      6  O   LIG    1        7.281  -2.183   1.503  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1        6.263  -1.660   1.063  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1        5.179  -2.416   0.691  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1        5.294  -3.416   0.795  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1        4.112  -2.017  -0.081  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1        3.406  -2.860  -0.632  0.00  0.00    -0.273 OA
ATOM     12  C   LIG    1        3.952  -0.522  -0.299  0.00  0.00    +0.195 C 
ATOM     13  C   LIG    1        4.715   0.277   0.762  0.00  0.00    +0.045 C 
ATOM     14  C   LIG    1        6.165  -0.176   0.802  0.00  0.00    +0.099 C 
ENDBRANCH   1  12
BRANCH   4  15
ATOM     15  C   LIG    1       -0.657   0.802  -1.689  0.00  0.00    +0.052 A 
ATOM     16  C   LIG    1       -1.849   1.296  -1.074  0.00  0.00    +0.137 A 
ATOM     17  C   LIG    1       -2.831   1.606  -1.988  0.00  0.00    +0.091 A 
ATOM     18  S   LIG    1       -2.351   1.244  -3.587  0.00  0.00    -0.101 S 
ATOM     19  C   LIG    1       -0.809   0.717  -3.060  0.00  0.00    +0.059 A 
BRANCH  16  20
ATOM     20  O   LIG    1       -2.042   1.541   0.245  0.00  0.00    -0.486 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -2.458   0.367   0.954  0.00  0.00    +0.264 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.965   0.307   1.047  0.00  0.00    -0.010 A 
ATOM     23  C   LIG    1       -4.673   1.317   1.714  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -6.066   1.269   1.796  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.763   0.213   1.211  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.069  -0.794   0.543  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.676  -0.748   0.460  0.00  0.00    +0.007 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  16  20
ENDBRANCH   4  15
TORSDOF 5