REMARK  Name = LIG000771
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.113   0.280  -0.251  0.00  0.00    +0.026 C 
ATOM      2  C   LIG    1       -2.414  -0.584  -0.531  0.00  0.00    +0.042 C 
ATOM      3  C   LIG    1       -1.948  -2.039  -0.572  0.00  0.00    +0.066 C 
ATOM      4  C   LIG    1       -2.938  -3.126  -0.938  0.00  0.00    +0.090 C 
ATOM      5  C   LIG    1       -3.406  -2.792  -2.328  0.00  0.00    -0.006 C 
ATOM      6  C   LIG    1       -3.429  -1.527  -2.789  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1       -4.150  -3.380  -0.035  0.00  0.00    +0.028 C 
ATOM      8  C   LIG    1       -1.980  -4.305  -0.725  0.00  0.00    +0.318 C 
ATOM      9  O   LIG    1       -2.036  -5.391  -1.276  0.00  0.00    -0.250 OA
ATOM     10  O   LIG    1       -1.069  -3.973   0.266  0.00  0.00    -0.458 OA
ATOM     11  C   LIG    1       -1.253  -2.593   0.629  0.00  0.00    +0.211 C 
ATOM     12  C   LIG    1        0.041  -1.822   0.871  0.00  0.00    +0.170 C 
ATOM     13  O   LIG    1        1.009  -2.045  -0.187  0.00  0.00    -0.364 OA
ATOM     14  C   LIG    1        1.801  -0.863  -0.295  0.00  0.00    +0.146 C 
ATOM     15  C   LIG    1        1.244   0.075   0.726  0.00  0.00    -0.033 C 
ATOM     16  C   LIG    1        2.203   0.799   1.320  0.00  0.00    -0.063 C 
ATOM     17  C   LIG    1        3.569   0.345   0.830  0.00  0.00    +0.050 C 
ATOM     18  C   LIG    1        2.117   1.803   2.415  0.00  0.00    +0.040 C 
ATOM     19  C   LIG    1        3.249  -0.999   0.142  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1       -3.549  -0.295   0.460  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1       -2.982  -0.346  -1.964  0.00  0.00    +0.162 C 
ATOM     22  O   LIG    1       -3.133   0.776  -2.440  0.00  0.00    -0.292 OA
ATOM     23  C   LIG    1       -0.198  -0.273   0.947  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1       -0.722   0.068   2.350  0.00  0.00    +0.019 C 
ENDROOT
BRANCH  17  25
ATOM     25  C   LIG    1        4.256   1.345  -0.045  0.00  0.00    -0.003 A 
ATOM     26  C   LIG    1        3.840   1.871  -1.254  0.00  0.00    +0.199 A 
ATOM     27  O   LIG    1        4.747   2.757  -1.738  0.00  0.00    -0.471 OA
ATOM     28  C   LIG    1        5.764   2.810  -0.845  0.00  0.00    +0.195 A 
ATOM     29  C   LIG    1        5.516   1.966   0.211  0.00  0.00    +0.045 A 
ENDBRANCH  17  25
BRANCH   1  30
ATOM     30  C   LIG    1       -1.384   1.804  -0.135  0.00  0.00    +0.126 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -0.197   2.640  -0.564  0.00  0.00    +0.307 C 
ATOM     32  O   LIG    1        0.504   2.401  -1.538  0.00  0.00    -0.251 OA
BRANCH  31  34
ATOM     33  C   LIG    1        1.031   4.572  -0.088  0.00  0.00    +0.280 C 
ATOM     34  O   LIG    1       -0.048   3.707   0.270  0.00  0.00    -0.468 OA
ENDBRANCH  31  34
ENDBRANCH  30  31
ENDBRANCH   1  30
TORSDOF 4