REMARK  Name = LIG001684
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.487   1.929   0.182  0.00  0.00    +0.059 A 
ATOM      2  N   LIG    1        1.550   1.078  -0.092  0.00  0.00    -0.229 NA
ATOM      3  C   LIG    1        2.690   1.732  -0.133  0.00  0.00    +0.164 A 
ATOM      4  S   LIG    1        2.532   3.434   0.134  0.00  0.00    -0.060 S 
ATOM      5  C   LIG    1        0.843   3.256   0.318  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   3   6
ATOM      6  N   LIG    1        3.917   1.226  -0.361  0.00  0.00    -0.279 N 
ATOM      7  H   LIG    1        4.713   1.851  -0.366  0.00  0.00    +0.155 HD
BRANCH   6   8
ATOM      8  C   LIG    1        4.329  -0.079  -0.598  0.00  0.00    +0.126 A 
ATOM      9  N   LIG    1        5.660  -0.218  -0.786  0.00  0.00    -0.220 NA
ATOM     10  C   LIG    1        6.134  -1.459  -1.022  0.00  0.00    +0.131 A 
ATOM     11 CL   LIG    1        7.833  -1.539  -1.249  0.00  0.00    -0.062 Cl
ATOM     12  C   LIG    1        5.359  -2.600  -1.087  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        3.995  -2.452  -0.894  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        3.476  -1.180  -0.648  0.00  0.00    +0.044 A 
ENDBRANCH   6   8
ENDBRANCH   3   6
BRANCH   1  15
ATOM     15  C   LIG    1       -0.894   1.353   0.252  0.00  0.00    +0.152 C 
BRANCH  15  18
ATOM     16  N   LIG    1       -2.767   0.955   1.866  0.00  0.00    -0.264 N 
ATOM     17  H   LIG    1       -3.134   1.091   2.796  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1       -1.551   1.525   1.616  0.00  0.00    +0.224 C 
ATOM     19  O   LIG    1       -1.042   2.181   2.531  0.00  0.00    -0.275 OA
BRANCH  16  23
ATOM     20  C   LIG    1       -6.653  -1.739  -0.118  0.00  0.00    +0.053 C 
ATOM     21  C   LIG    1       -5.385  -0.996   0.095  0.00  0.00    +0.008 A 
ATOM     22  S   LIG    1       -5.005  -0.313   1.623  0.00  0.00    -0.057 S 
ATOM     23  C   LIG    1       -3.534   0.264   0.979  0.00  0.00    +0.165 A 
ATOM     24  N   LIG    1       -3.302  -0.002  -0.280  0.00  0.00    -0.233 NA
ATOM     25  C   LIG    1       -4.361  -0.728  -0.791  0.00  0.00    +0.124 A 
ENDBRANCH  16  23
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 5