REMARK  Name = LIG000245
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.981  -0.348  -0.529  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1        1.680   0.803  -1.226  0.00  0.00    +0.223 C 
ATOM      3  O   LIG    1        1.111   1.535  -2.032  0.00  0.00    -0.275 OA
ATOM      4  N   LIG    1        2.996   1.013  -0.896  0.00  0.00    -0.256 N 
ATOM      5  H   LIG    1        3.440   1.782  -1.381  0.00  0.00    +0.157 HD
ATOM      6  C   LIG    1        3.865   0.090  -0.373  0.00  0.00    +0.219 C 
ATOM      7  O   LIG    1        5.078   0.278  -0.398  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        3.250  -1.133   0.262  0.00  0.00    +0.097 C 
ATOM      9  C   LIG    1        1.959  -1.526  -0.441  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        0.473   0.085   0.854  0.00  0.00    +0.090 C 
BRANCH  10  11
ATOM     11  S   LIG    1       -0.982   1.184   0.774  0.00  0.00    -0.085 S 
BRANCH  11  14
ATOM     12  C   LIG    1       -3.910   1.780  -0.449  0.00  0.00    +0.152 C 
ATOM     13  N   LIG    1       -3.412   0.449  -0.229  0.00  0.00    -0.312 N 
ATOM     14  C   LIG    1       -2.203   0.070   0.274  0.00  0.00    +0.191 A 
ATOM     15  N   LIG    1       -2.128  -1.241   0.303  0.00  0.00    -0.123 NA
ATOM     16  N   LIG    1       -3.313  -1.737  -0.195  0.00  0.00    -0.137 NA
ATOM     17  C   LIG    1       -4.071  -0.711  -0.509  0.00  0.00    +0.225 A 
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   1  10
TORSDOF 3