REMARK  Name = LIG000045
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.038  -0.721  -1.172  0.00  0.00    +0.265 C 
ATOM      2  N   LIG    1        1.020   0.003  -0.517  0.00  0.00    -0.203 N 
ATOM      3  H   LIG    1        0.780   0.806   0.053  0.00  0.00    +0.178 HD
ATOM      4  O   LIG    1        0.184  -1.769  -1.790  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1       -6.958  -1.419   1.226  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -5.885  -0.635   0.531  0.00  0.00    -0.050 A 
ATOM      7  C   LIG    1       -4.602  -1.169   0.374  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -3.585  -0.423  -0.251  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -3.844   0.879  -0.723  0.00  0.00    +0.071 A 
ATOM     10  N   LIG    1       -2.903   1.625  -1.334  0.00  0.00    -0.251 NA
ATOM     11  C   LIG    1       -1.661   1.103  -1.514  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -1.317  -0.159  -1.038  0.00  0.00    +0.060 A 
ATOM     13  C   LIG    1       -0.694   1.971  -2.267  0.00  0.00    +0.066 C 
ATOM     14  C   LIG    1       -5.117   1.398  -0.543  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -2.296  -0.938  -0.420  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1       -6.132   0.663   0.080  0.00  0.00    +0.005 A 
ENDBRANCH   1  12
BRANCH   2  17
ATOM     17  N   LIG    1        2.313  -0.421  -0.561  0.00  0.00    -0.187 NA
ATOM     18  C   LIG    1        3.160   0.289   0.111  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.595  -0.053   0.154  0.00  0.00    -0.002 A 
ATOM     20  C   LIG    1        5.458   0.756   0.896  0.00  0.00    +0.054 A 
ATOM     21  C   LIG    1        6.812   0.441   0.941  0.00  0.00    +0.117 A 
ATOM     22  C   LIG    1        7.317  -0.664   0.261  0.00  0.00    +0.045 A 
ATOM     23  C   LIG    1        6.450  -1.470  -0.480  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        5.088  -1.166  -0.534  0.00  0.00    +0.010 A 
BRANCH  21  25
ATOM     25  O   LIG    1        7.624   1.254   1.676  0.00  0.00    -0.507 OA
ATOM     26  H   LIG    1        8.535   0.919   1.618  0.00  0.00    +0.292 HD
ENDBRANCH  21  25
ENDBRANCH  18  19
ENDBRANCH   2  17
TORSDOF 4