REMARK  Name = LIG001719
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.654   0.153   0.746  0.00  0.00    +0.065 A 
ATOM      2  C   LIG    1       -0.970  -0.448  -0.488  0.00  0.00    +0.101 A 
ATOM      3  C   LIG    1       -2.282  -0.396  -0.958  0.00  0.00    +0.075 A 
ATOM      4  N   LIG    1       -2.237  -1.068  -2.156  0.00  0.00    -0.344 N 
ATOM      5  H   LIG    1       -3.018  -1.227  -2.776  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -0.955  -1.487  -2.366  0.00  0.00    +0.197 A 
ATOM      7  C   LIG    1       -3.326   0.241  -0.250  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -2.995   0.844   0.989  0.00  0.00    -0.015 A 
ATOM      9  C   LIG    1       -4.014   1.483   1.712  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -5.322   1.524   1.221  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.637   0.927   0.000  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.645   0.285  -0.741  0.00  0.00    +0.010 A 
ATOM     13  N   LIG    1       -0.163  -1.130  -1.383  0.00  0.00    -0.235 NA
ATOM     14  C   LIG    1       -1.678   0.794   1.469  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  17
ATOM     15  N   LIG    1        1.679  -0.528   0.556  0.00  0.00    -0.300 N 
ATOM     16  H   LIG    1        1.360  -1.041  -0.270  0.00  0.00    +0.150 HD
ATOM     17  C   LIG    1        0.725   0.129   1.298  0.00  0.00    +0.247 C 
ATOM     18  O   LIG    1        0.975   0.678   2.366  0.00  0.00    -0.270 OA
BRANCH  15  25
ATOM     19  O   LIG    1        5.297   0.068  -2.355  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        4.712  -0.132  -1.293  0.00  0.00    +0.219 C 
ATOM     21  N   LIG    1        4.543  -1.406  -0.814  0.00  0.00    -0.255 N 
ATOM     22  H   LIG    1        4.908  -2.143  -1.400  0.00  0.00    +0.158 HD
ATOM     23  C   LIG    1        3.704  -1.814   0.196  0.00  0.00    +0.240 C 
ATOM     24  O   LIG    1        3.416  -3.004   0.315  0.00  0.00    -0.273 OA
ATOM     25  C   LIG    1        3.042  -0.710   1.026  0.00  0.00    +0.160 C 
ATOM     26  C   LIG    1        3.868   0.574   0.954  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1        4.089   0.986  -0.494  0.00  0.00    +0.098 C 
ENDBRANCH  15  25
ENDBRANCH   1  17
TORSDOF 2