REMARK  Name = LIG001891
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.952  -0.174   0.072  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        0.930  -0.374   0.961  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1        0.990  -0.667   2.140  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -0.315  -0.180   0.222  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        0.021   0.167  -1.072  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -0.938   0.428  -2.027  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -2.278   0.324  -1.631  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -2.645  -0.032  -0.304  0.00  0.00    -0.017 A 
ATOM      9  C   LIG    1       -1.629  -0.287   0.637  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1        1.479   0.197  -1.157  0.00  0.00    +0.254 C 
ATOM     11  O   LIG    1        2.098   0.519  -2.153  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        7.312   1.002   0.250  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        6.138   0.650   0.300  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        5.146   1.538   0.636  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        5.439   2.496   0.771  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        3.787   1.316   0.662  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        3.009   2.243   0.884  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        3.349  -0.140   0.475  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1        4.297  -0.854  -0.485  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        5.714  -0.782   0.064  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  C   LIG    1       -4.064  -0.129   0.080  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1       -4.952   0.934  -0.156  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -6.298   0.843   0.208  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -6.780  -0.314   0.815  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.917  -1.379   1.058  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.571  -1.286   0.695  0.00  0.00    +0.008 A 
ENDBRANCH   8  21
TORSDOF 2