REMARK  Name = LIG000713
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.253  -1.189  -0.755  0.00  0.00    -0.307 N 
ATOM      2  H   LIG    1        0.028  -0.758   0.143  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.568  -2.216  -1.166  0.00  0.00    +0.234 C 
ATOM      4  O   LIG    1       -0.585  -2.648  -2.316  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.491  -2.748  -0.049  0.00  0.00    +0.164 C 
ATOM      6  N   LIG    1       -2.596  -1.809   0.174  0.00  0.00    -0.287 N 
ATOM      7  C   LIG    1       -2.430  -0.676   0.933  0.00  0.00    +0.217 C 
ATOM      8  O   LIG    1       -1.322  -0.375   1.384  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1       -3.844  -2.346  -0.353  0.00  0.00    +0.140 C 
ATOM     10  C   LIG    1       -3.440  -3.578  -1.163  0.00  0.00    +0.134 C 
ATOM     11  C   LIG    1       -2.180  -4.052  -0.446  0.00  0.00    +0.065 C 
BRANCH  10  12
ATOM     12  O   LIG    1       -4.446  -4.576  -1.137  0.00  0.00    -0.390 OA
ATOM     13  H   LIG    1       -4.122  -5.325  -1.668  0.00  0.00    +0.210 HD
ENDBRANCH  10  12
BRANCH   7  14
ATOM     14  C   LIG    1       -3.637   0.220   1.173  0.00  0.00    +0.102 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -3.644   1.532   0.350  0.00  0.00    -0.029 C 
ATOM     16  C   LIG    1       -4.926   2.311   0.704  0.00  0.00    +0.011 C 
ATOM     17  C   LIG    1       -3.647   1.252  -1.160  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1       -2.434   2.417   0.696  0.00  0.00    +0.011 C 
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  C   LIG    1        1.093  -0.448  -1.675  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1        0.281   0.582  -2.465  0.00  0.00    +0.033 C 
BRANCH  19  24
ATOM     21  C   LIG    1        4.415   1.381   0.450  0.00  0.00    -0.010 A 
ATOM     22  C   LIG    1        4.637   0.403  -0.526  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        3.564  -0.182  -1.206  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        2.244   0.200  -0.926  0.00  0.00    -0.027 A 
ATOM     25  C   LIG    1        2.026   1.175   0.060  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        3.099   1.759   0.739  0.00  0.00    +0.009 A 
BRANCH  21  29
ATOM     27  C   LIG    1        6.614  -0.053   2.331  0.00  0.00    +0.067 C 
ATOM     28  C   LIG    1        6.512   1.385   1.966  0.00  0.00    +0.053 A 
ATOM     29  C   LIG    1        5.543   1.976   1.164  0.00  0.00    +0.042 A 
ATOM     30  S   LIG    1        5.840   3.667   1.056  0.00  0.00    -0.075 S 
ATOM     31  C   LIG    1        7.212   3.478   2.058  0.00  0.00    +0.156 A 
ATOM     32  N   LIG    1        7.467   2.257   2.471  0.00  0.00    -0.252 NA
ENDBRANCH  21  29
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 7