REMARK  Name = LIG001407
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.290   0.691   0.177  0.00  0.00    +0.117 A 
ATOM      2  N   LIG    1        1.097   0.033  -1.007  0.00  0.00    -0.129 NA
ATOM      3  N   LIG    1       -0.152  -0.412  -1.039  0.00  0.00    -0.064 NA
ATOM      4  N   LIG    1       -0.743  -0.032   0.107  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1        0.119   0.666   0.902  0.00  0.00    +0.139 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -2.144  -0.322   0.352  0.00  0.00    +0.195 C 
ATOM      7  C   LIG    1       -2.315  -1.755   0.827  0.00  0.00    +0.244 C 
ATOM      8  O   LIG    1       -1.549  -2.301   1.620  0.00  0.00    -0.273 OA
ATOM      9  N   LIG    1       -3.456  -2.408   0.418  0.00  0.00    -0.255 N 
ATOM     10  H   LIG    1       -3.572  -3.348   0.774  0.00  0.00    +0.158 HD
ATOM     11  C   LIG    1       -4.581  -1.845  -0.130  0.00  0.00    +0.219 C 
ATOM     12  O   LIG    1       -5.638  -2.466  -0.188  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -4.469  -0.401  -0.553  0.00  0.00    +0.099 C 
ATOM     14  C   LIG    1       -3.027  -0.034  -0.865  0.00  0.00    +0.045 C 
ENDBRANCH   4   6
BRANCH   1  16
ATOM     15  C   LIG    1        3.688   1.425  -0.352  0.00  0.00    +0.136 A 
ATOM     16  C   LIG    1        2.577   1.289   0.538  0.00  0.00    +0.052 A 
ATOM     17  C   LIG    1        2.880   1.798   1.786  0.00  0.00    +0.059 A 
ATOM     18  S   LIG    1        4.464   2.446   1.868  0.00  0.00    -0.101 S 
ATOM     19  C   LIG    1        4.761   2.062   0.229  0.00  0.00    +0.091 A 
BRANCH  15  21
ATOM     20  C   LIG    1        4.229  -0.256  -1.816  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        3.722   1.068  -1.658  0.00  0.00    -0.494 OA
ENDBRANCH  15  21
ENDBRANCH   1  16
TORSDOF 3