REMARK  Name = LIG001121
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.030   0.625   2.325  0.00  0.00    +0.142 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.969   0.917   1.133  0.00  0.00    +0.231 C 
ATOM      3  N   LIG    1       -0.333   1.059  -0.081  0.00  0.00    -0.302 N 
ATOM      4  H   LIG    1        0.595   0.647  -0.167  0.00  0.00    +0.150 HD
ATOM      5  O   LIG    1       -2.187   1.031   1.260  0.00  0.00    -0.274 OA
BRANCH   3   6
ATOM      6  C   LIG    1       -1.099   1.133  -1.312  0.00  0.00    +0.168 C 
ATOM      7  C   LIG    1       -0.175   1.254  -2.509  0.00  0.00    +0.240 C 
ATOM      8  O   LIG    1        0.920   0.727  -2.631  0.00  0.00    -0.273 OA
ATOM      9  N   LIG    1       -0.766   2.071  -3.415  0.00  0.00    -0.255 N 
ATOM     10  H   LIG    1       -0.340   2.324  -4.293  0.00  0.00    +0.158 HD
ATOM     11  C   LIG    1       -1.768   2.800  -2.865  0.00  0.00    +0.221 C 
ATOM     12  O   LIG    1       -2.349   3.717  -3.423  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -1.994   2.360  -1.447  0.00  0.00    +0.128 C 
ENDBRANCH   3   6
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  N   LIG    1       -0.561   1.302   3.531  0.00  0.00    -0.320 NA
ATOM     15  H   LIG    1       -1.534   1.001   3.646  0.00  0.00    +0.119 HD
ATOM     16  H   LIG    1       -0.639   2.301   3.330  0.00  0.00    +0.119 HD
ENDBRANCH   1  14
BRANCH   1  17
ATOM     17  C   LIG    1        0.074  -0.890   2.567  0.00  0.00    +0.063 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.719  -1.632   1.419  0.00  0.00    -0.045 A 
ATOM     19  C   LIG    1       -0.064  -2.402   0.546  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        0.522  -3.048  -0.542  0.00  0.00    +0.045 A 
ATOM     21  C   LIG    1        1.888  -2.927  -0.761  0.00  0.00    +0.117 A 
ATOM     22  C   LIG    1        2.684  -2.175   0.097  0.00  0.00    +0.045 A 
ATOM     23  C   LIG    1        2.099  -1.530   1.189  0.00  0.00    +0.007 A 
BRANCH  21  24
ATOM     24  O   LIG    1        2.416  -3.570  -1.840  0.00  0.00    -0.507 OA
ATOM     25  H   LIG    1        3.359  -3.346  -1.904  0.00  0.00    +0.292 HD
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6