REMARK  Name = LIG000227
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.435   0.445  -1.319  0.00  0.00    +0.152 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.714   1.011   0.035  0.00  0.00    +0.059 A 
ATOM      3  N   LIG    1        1.978   0.794   0.569  0.00  0.00    -0.229 NA
ATOM      4  C   LIG    1        2.105   1.347   1.755  0.00  0.00    +0.164 A 
ATOM      5  S   LIG    1        0.665   2.118   2.324  0.00  0.00    -0.060 S 
ATOM      6  C   LIG    1       -0.128   1.732   0.860  0.00  0.00    +0.072 A 
BRANCH   4   7
ATOM      7  N   LIG    1        3.204   1.374   2.532  0.00  0.00    -0.279 N 
ATOM      8  H   LIG    1        3.194   1.920   3.384  0.00  0.00    +0.155 HD
BRANCH   7   9
ATOM      9  C   LIG    1        4.508   0.982   2.251  0.00  0.00    +0.124 A 
ATOM     10  N   LIG    1        5.428   1.424   3.141  0.00  0.00    -0.240 NA
ATOM     11  C   LIG    1        6.726   1.103   2.933  0.00  0.00    +0.113 A 
ATOM     12  C   LIG    1        7.171   0.332   1.876  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        6.224  -0.133   0.977  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        4.880   0.198   1.166  0.00  0.00    +0.044 A 
ENDBRANCH   7   9
ENDBRANCH   4   7
ENDBRANCH   1   2
BRANCH   1  17
ATOM     15  N   LIG    1       -2.048   0.280  -1.794  0.00  0.00    -0.285 N 
ATOM     16  H   LIG    1       -2.736   0.766  -2.358  0.00  0.00    +0.155 HD
ATOM     17  C   LIG    1       -0.857   0.928  -1.927  0.00  0.00    +0.223 C 
ATOM     18  O   LIG    1       -0.866   1.961  -2.612  0.00  0.00    -0.275 OA
BRANCH  15  20
ATOM     19  C   LIG    1       -3.844  -1.273  -1.312  0.00  0.00    -0.026 A 
ATOM     20  C   LIG    1       -2.522  -0.825  -1.057  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1       -1.785  -1.482  -0.063  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -2.322  -2.557   0.656  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -3.615  -2.993   0.402  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.371  -2.353  -0.572  0.00  0.00    +0.005 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -5.503   0.566  -1.768  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -4.767  -0.640  -2.335  0.00  0.00    +0.033 C 
ENDBRANCH  19  26
ENDBRANCH  15  20
ENDBRANCH   1  17
TORSDOF 6