REMARK  Name = LIG001715
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.365  -0.054   0.429  0.00  0.00    +0.117 A 
ATOM      2  N   LIG    1       -1.024  -1.012   1.346  0.00  0.00    -0.129 NA
ATOM      3  N   LIG    1        0.262  -1.299   1.189  0.00  0.00    -0.064 NA
ATOM      4  N   LIG    1        0.724  -0.541   0.178  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1       -0.254   0.274  -0.314  0.00  0.00    +0.139 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        2.144  -0.579  -0.138  0.00  0.00    +0.195 C 
ATOM      7  C   LIG    1        2.421  -0.454  -1.626  0.00  0.00    +0.244 C 
ATOM      8  O   LIG    1        1.637  -0.797  -2.508  0.00  0.00    -0.273 OA
ATOM      9  N   LIG    1        3.662   0.035  -1.972  0.00  0.00    -0.255 N 
ATOM     10  H   LIG    1        3.853   0.099  -2.965  0.00  0.00    +0.158 HD
ATOM     11  C   LIG    1        4.652   0.504  -1.145  0.00  0.00    +0.219 C 
ATOM     12  O   LIG    1        5.708   0.931  -1.599  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        4.387   0.405   0.338  0.00  0.00    +0.099 C 
ATOM     14  C   LIG    1        2.900   0.502   0.636  0.00  0.00    +0.045 C 
ENDBRANCH   4   6
BRANCH   1  16
ATOM     15  C   LIG    1       -3.750   0.259   1.250  0.00  0.00    +0.167 A 
ATOM     16  C   LIG    1       -2.729   0.474   0.338  0.00  0.00    +0.053 A 
ATOM     17  C   LIG    1       -3.150   1.299  -0.754  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1       -4.461   1.700  -0.630  0.00  0.00    +0.049 A 
ATOM     19  S   LIG    1       -5.179   1.099   0.797  0.00  0.00    -0.060 S 
BRANCH  15  21
ATOM     20  C   LIG    1       -4.068  -1.802   2.244  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -3.731  -0.426   2.398  0.00  0.00    -0.488 OA
ENDBRANCH  15  21
ENDBRANCH   1  16
TORSDOF 3