REMARK  Name = LIG001073
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.004   0.020   0.393  0.00  0.00    +0.106 C 
ATOM      2  C   LIG    1       -1.885  -1.169   0.777  0.00  0.00    +0.227 C 
ATOM      3  O   LIG    1       -1.449  -2.254   1.157  0.00  0.00    -0.275 OA
ATOM      4  N   LIG    1       -3.244  -0.953   0.752  0.00  0.00    -0.256 N 
ATOM      5  H   LIG    1       -3.817  -1.736   1.040  0.00  0.00    +0.157 HD
ATOM      6  C   LIG    1       -3.912   0.221   0.512  0.00  0.00    +0.219 C 
ATOM      7  O   LIG    1       -5.129   0.298   0.649  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1       -3.063   1.414   0.150  0.00  0.00    +0.097 C 
ATOM      9  C   LIG    1       -1.771   0.981  -0.523  0.00  0.00    +0.026 C 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        2.745  -0.203  -0.337  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1        1.524   0.129   0.256  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1        0.313  -0.381  -0.251  0.00  0.00    -0.032 A 
ATOM     13  C   LIG    1        0.351  -1.227  -1.370  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        1.568  -1.558  -1.965  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        2.757  -1.046  -1.450  0.00  0.00    +0.045 A 
BRANCH  10  17
ATOM     16  C   LIG    1        4.034   1.016   1.247  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        3.979   0.228   0.065  0.00  0.00    -0.495 OA
ENDBRANCH  10  17
ENDBRANCH   1  12
TORSDOF 2