REMARK  Name = LIG000630
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.848   0.136   1.041  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -0.717  -0.574   1.426  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -0.647  -1.632   2.019  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.449   0.200   0.990  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.007   1.404   0.457  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1        0.889   2.341  -0.027  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        2.255   2.039   0.029  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1        2.694   0.809   0.566  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        1.788  -0.129   1.070  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1       -1.496   1.470   0.557  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -5.327  -0.835  -1.965  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.790  -0.735  -0.866  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -5.008   0.366  -0.077  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -5.636   1.058  -0.464  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -4.262   0.775   1.003  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -4.364   1.928   1.421  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -3.195  -0.204   1.520  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -3.630  -1.629   1.157  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -3.811  -1.759  -0.347  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  S   LIG    1        4.430   0.460   0.634  0.00  0.00    +0.085 S 
ATOM     21  O   LIG    1        5.162   1.704   0.508  0.00  0.00    -0.148 OA
ATOM     22  O   LIG    1        4.676  -0.486   1.703  0.00  0.00    -0.148 OA
BRANCH  20  23
ATOM     23  N   LIG    1        4.720  -0.379  -0.793  0.00  0.00    -0.203 N 
ATOM     24  C   LIG    1        4.937   0.184  -2.017  0.00  0.00    +0.172 A 
ATOM     25  C   LIG    1        4.916  -0.894  -2.866  0.00  0.00    +0.233 A 
ATOM     26  F   LIG    1        5.100  -0.806  -4.188  0.00  0.00    -0.182 F 
ATOM     27  N   LIG    1        4.656  -2.066  -2.205  0.00  0.00    -0.207 NA
ATOM     28  C   LIG    1        4.532  -1.718  -0.941  0.00  0.00    +0.225 A 
ENDBRANCH  20  23
ENDBRANCH   8  20
TORSDOF 3