REMARK  Name = LIG000851
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.243  -0.579  -1.481  0.00  0.00    +0.223 C 
ATOM      2  N   LIG    1        1.086  -0.879  -1.572  0.00  0.00    -0.264 N 
ATOM      3  H   LIG    1        1.504  -0.731  -2.480  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1       -0.798  -0.174  -2.507  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.887  -1.347  -0.575  0.00  0.00    +0.165 A 
ATOM      6  S   LIG    1        3.505  -1.612  -1.047  0.00  0.00    -0.046 S 
ATOM      7  C   LIG    1        3.869  -2.111   0.551  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        2.721  -2.070   1.316  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1        1.586  -1.617   0.668  0.00  0.00    -0.232 NA
BRANCH   7  10
ATOM     10  S   LIG    1        5.473  -2.596   1.055  0.00  0.00    -0.112 S 
BRANCH  10  11
ATOM     11  C   LIG    1        5.949  -1.172   2.084  0.00  0.00    +0.111 C 
BRANCH  11  12
ATOM     12  C   LIG    1        6.128   0.094   1.296  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1        5.183   1.115   1.352  0.00  0.00    +0.115 A 
ATOM     14  N   LIG    1        5.272   2.273   0.661  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        6.356   2.427  -0.129  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        7.354   1.476  -0.259  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        7.236   0.293   0.465  0.00  0.00    +0.007 A 
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   7  10
ENDBRANCH   2   5
BRANCH   1  18
ATOM     18  C   LIG    1       -0.972  -0.753  -0.154  0.00  0.00    +0.131 C 
BRANCH  18  22
ATOM     19  C   LIG    1       -5.204   0.368  -0.294  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1       -4.194   1.294   0.020  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -2.836   0.942   0.062  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -2.433  -0.368  -0.195  0.00  0.00    -0.039 A 
ATOM     23  C   LIG    1       -3.414  -1.311  -0.501  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -4.769  -0.947  -0.539  0.00  0.00    +0.023 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -7.507  -0.182  -0.971  0.00  0.00    +0.129 C 
ATOM     26  N   LIG    1       -6.561   0.722  -0.318  0.00  0.00    -0.336 N 
ATOM     27  C   LIG    1       -6.914   2.139  -0.367  0.00  0.00    +0.129 C 
ENDBRANCH  19  26
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 7