REMARK  Name = LIG000637
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.003   2.585  -2.422  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        0.252   2.920  -1.980  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1        0.707   3.656  -2.499  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1       -1.506   3.226  -3.346  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -3.338  -0.707  -0.861  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -3.861   0.594  -0.995  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -3.095   1.661  -1.485  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -1.769   1.456  -1.853  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -1.231   0.173  -1.784  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -2.008  -0.884  -1.289  0.00  0.00    +0.024 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -3.396  -2.899   0.241  0.00  0.00    +0.129 C 
ATOM     12  N   LIG    1       -4.104  -1.778  -0.380  0.00  0.00    -0.336 N 
ATOM     13  C   LIG    1       -5.442  -1.517   0.148  0.00  0.00    +0.129 C 
ENDBRANCH   5  12
ENDBRANCH   1   8
BRANCH   2  14
ATOM     14  C   LIG    1        0.831   2.546  -0.803  0.00  0.00    +0.166 A 
ATOM     15  S   LIG    1        2.370   3.235  -0.538  0.00  0.00    -0.046 S 
ATOM     16  C   LIG    1        2.463   2.409   0.959  0.00  0.00    +0.067 A 
ATOM     17  C   LIG    1        1.305   1.685   1.156  0.00  0.00    +0.135 A 
ATOM     18  N   LIG    1        0.374   1.761   0.136  0.00  0.00    -0.232 NA
BRANCH  16  19
ATOM     19  S   LIG    1        3.837   2.517   2.038  0.00  0.00    -0.112 S 
BRANCH  19  20
ATOM     20  C   LIG    1        4.957   1.295   1.289  0.00  0.00    +0.111 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.452  -0.116   1.398  0.00  0.00    -0.019 A 
ATOM     22  C   LIG    1        4.504  -0.806   2.606  0.00  0.00    +0.115 A 
ATOM     23  N   LIG    1        4.057  -2.070   2.778  0.00  0.00    -0.263 NA
ATOM     24  C   LIG    1        3.526  -2.680   1.697  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1        3.425  -2.084   0.452  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        3.897  -0.784   0.302  0.00  0.00    +0.007 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   2  14
TORSDOF 6