REMARK  Name = LIG001804
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.414   0.986  -0.290  0.00  0.00    +0.164 A 
ATOM      2  S   LIG    1       -1.291   2.590  -0.909  0.00  0.00    -0.060 S 
ATOM      3  C   LIG    1        0.402   2.430  -1.053  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.795   1.178  -0.629  0.00  0.00    +0.059 A 
ATOM      5  N   LIG    1       -0.247   0.384  -0.170  0.00  0.00    -0.229 NA
ENDROOT
BRANCH   1   6
ATOM      6  N   LIG    1       -2.536   0.354   0.111  0.00  0.00    -0.279 N 
ATOM      7  H   LIG    1       -2.383  -0.480   0.664  0.00  0.00    +0.155 HD
BRANCH   6  10
ATOM      8  C   LIG    1       -5.950   0.085   1.036  0.00  0.00    +0.216 A 
ATOM      9  N   LIG    1       -4.620  -0.134   0.942  0.00  0.00    -0.198 NA
ATOM     10  C   LIG    1       -3.889   0.666   0.130  0.00  0.00    +0.128 A 
ATOM     11  C   LIG    1       -4.498   1.671  -0.613  0.00  0.00    +0.044 A 
ATOM     12  C   LIG    1       -5.873   1.880  -0.504  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -6.617   1.074   0.342  0.00  0.00    +0.067 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -5.970  -1.705   2.543  0.00  0.00    +0.279 C 
ATOM     15  O   LIG    1       -6.723  -0.707   1.863  0.00  0.00    -0.480 OA
ENDBRANCH   8  15
ENDBRANCH   6  10
ENDBRANCH   1   6
BRANCH   4  16
ATOM     16  C   LIG    1        2.190   0.635  -0.559  0.00  0.00    +0.152 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.901   0.593  -1.899  0.00  0.00    +0.224 C 
ATOM     18  N   LIG    1        4.094  -0.040  -2.068  0.00  0.00    -0.264 N 
ATOM     19  H   LIG    1        4.415  -0.036  -3.029  0.00  0.00    +0.157 HD
ATOM     20  O   LIG    1        2.433   1.144  -2.904  0.00  0.00    -0.275 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.974  -0.663  -1.228  0.00  0.00    +0.165 A 
ATOM     22  S   LIG    1        4.809  -0.732   0.462  0.00  0.00    -0.057 S 
ATOM     23  C   LIG    1        6.275  -1.608   0.580  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        6.799  -2.058   1.894  0.00  0.00    +0.053 C 
ATOM     25  C   LIG    1        6.799  -1.778  -0.683  0.00  0.00    +0.124 A 
ATOM     26  N   LIG    1        6.057  -1.229  -1.710  0.00  0.00    -0.233 NA
ENDBRANCH  18  21
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6