REMARK  Name = LIG001294
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.619  -0.151  -0.557  0.00  0.00    -0.239 N 
ATOM      2  N   LIG    1       -1.654   0.099   0.346  0.00  0.00    -0.064 NA
ATOM      3  N   LIG    1       -0.757   0.878  -0.241  0.00  0.00    -0.129 NA
ATOM      4  C   LIG    1       -1.162   1.111  -1.528  0.00  0.00    +0.117 A 
ATOM      5  C   LIG    1       -2.366   0.476  -1.742  0.00  0.00    +0.139 A 
ENDROOT
BRANCH   1  12
ATOM      6  O   LIG    1       -5.794  -3.792   2.018  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -5.140  -2.917   1.461  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -4.049  -3.234   0.691  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -3.851  -4.225   0.617  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -3.436  -2.432  -0.246  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1       -2.741  -2.939  -1.125  0.00  0.00    -0.273 OA
ATOM     12  C   LIG    1       -3.776  -0.952  -0.200  0.00  0.00    +0.195 C 
ATOM     13  C   LIG    1       -4.360  -0.562   1.163  0.00  0.00    +0.045 C 
ATOM     14  C   LIG    1       -5.542  -1.460   1.490  0.00  0.00    +0.099 C 
ENDBRANCH   1  12
BRANCH   4  15
ATOM     15  C   LIG    1       -0.371   1.919  -2.461  0.00  0.00    +0.052 A 
ATOM     16  C   LIG    1        0.899   2.495  -2.152  0.00  0.00    +0.137 A 
ATOM     17  C   LIG    1        1.419   3.232  -3.195  0.00  0.00    +0.091 A 
ATOM     18  S   LIG    1        0.411   3.179  -4.575  0.00  0.00    -0.101 S 
ATOM     19  C   LIG    1       -0.746   2.214  -3.757  0.00  0.00    +0.059 A 
BRANCH  16  20
ATOM     20  O   LIG    1        1.521   2.421  -0.950  0.00  0.00    -0.490 OA
BRANCH  20  21
ATOM     21  C   LIG    1        2.737   1.667  -0.999  0.00  0.00    +0.232 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.712   0.576   0.086  0.00  0.00    +0.027 C 
ATOM     23  C   LIG    1        3.962  -0.312  -0.031  0.00  0.00    +0.007 C 
ATOM     24  C   LIG    1        4.210  -1.097   1.251  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1        4.463  -0.174   2.444  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1        3.831   1.210   2.290  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1        2.524   1.151   1.507  0.00  0.00    +0.007 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  16  20
ENDBRANCH   4  15
TORSDOF 5