REMARK  Name = LIG001297
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.927  -2.602   0.118  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1       -0.408  -1.529  -0.617  0.00  0.00    +0.030 A 
ATOM      3  C   LIG    1        0.678  -0.848  -0.095  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1        1.408   0.337  -0.632  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1        2.508   0.498   0.317  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        2.339  -0.323   1.427  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1        2.961  -0.324   2.471  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.222  -1.224   1.129  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        0.722  -2.273   1.879  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -0.372  -2.968   1.359  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        3.366   1.690   0.340  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        3.329   2.461  -0.991  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        2.358   3.130  -1.343  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        4.369   2.244  -1.862  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        4.282   2.684  -2.769  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        5.354   1.295  -1.761  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        6.058   1.016  -2.728  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        5.473   0.578  -0.440  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        4.830   1.383   0.679  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  N   LIG    1       -2.093  -3.270  -0.368  0.00  0.00    -0.216 N 
ATOM     21  H   LIG    1       -2.080  -4.281  -0.214  0.00  0.00    +0.174 HD
BRANCH  20  22
ATOM     22  S   LIG    1       -3.578  -2.676   0.212  0.00  0.00    +0.075 S 
ATOM     23  O   LIG    1       -3.474  -2.486   1.639  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1       -4.619  -3.502  -0.355  0.00  0.00    -0.150 OA
BRANCH  22  26
ATOM     25  C   LIG    1       -3.957  -0.970  -1.871  0.00  0.00    +0.117 A 
ATOM     26  C   LIG    1       -3.850  -1.117  -0.501  0.00  0.00    +0.141 A 
ATOM     27  C   LIG    1       -3.959   0.137   0.212  0.00  0.00    +0.017 A 
ATOM     28  C   LIG    1       -4.156   1.195  -0.686  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -4.289   2.531  -0.256  0.00  0.00    +0.016 A 
ATOM     30  C   LIG    1       -4.221   2.819   1.106  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -4.028   1.801   2.023  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -3.898   0.476   1.591  0.00  0.00    +0.011 A 
ATOM     33  S   LIG    1       -4.206   0.654  -2.315  0.00  0.00    -0.076 S 
BRANCH  25  35
ATOM     34  N   LIG    1       -3.715  -2.827  -3.661  0.00  0.00    -0.190 NA
ATOM     35  C   LIG    1       -3.848  -2.003  -2.854  0.00  0.00    +0.108 C 
ENDBRANCH  25  35
ENDBRANCH  22  26
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 5