REMARK  Name = LIG000754
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.332  -0.581  -0.041  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        0.655  -1.747  -0.330  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -0.712  -1.681  -0.840  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1       -1.031  -3.110  -1.288  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        0.338  -3.705  -1.581  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        1.231  -3.066  -0.528  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1        0.808   0.520  -0.254  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -1.715  -1.250   0.247  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1       -2.836  -0.624  -0.253  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1       -2.912  -0.434  -1.243  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -1.569  -1.506   1.441  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -3.913  -0.162   0.611  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -4.592   1.060   0.010  0.00  0.00    -0.024 A 
ATOM     14  C   LIG    1       -5.995   1.183  -0.022  0.00  0.00    -0.042 A 
ATOM     15  C   LIG    1       -6.578   2.330  -0.585  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -5.783   3.365  -1.076  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.398   3.268  -1.008  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -6.897   0.095   0.505  0.00  0.00    +0.035 C 
ATOM     19  C   LIG    1       -6.184  -0.836   1.481  0.00  0.00    +0.007 C 
ATOM     20  C   LIG    1       -3.807   2.128  -0.464  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -4.880  -1.328   0.870  0.00  0.00    +0.027 C 
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  22
ATOM     22  C   LIG    1        2.741  -0.679   0.603  0.00  0.00    +0.164 C 
BRANCH  22  24
ATOM     23  C   LIG    1        4.196   0.215  -1.195  0.00  0.00    +0.230 C 
ATOM     24  N   LIG    1        3.531   0.393   0.001  0.00  0.00    -0.302 N 
ATOM     25  H   LIG    1        3.228   1.354   0.154  0.00  0.00    +0.150 HD
ATOM     26  O   LIG    1        4.349  -0.887  -1.716  0.00  0.00    -0.274 OA
BRANCH  23  27
ATOM     27  C   LIG    1        4.667   1.541  -1.849  0.00  0.00    +0.137 C 
ATOM     28  C   LIG    1        5.982   1.310  -2.589  0.00  0.00    +0.034 C 
BRANCH  27  30
ATOM     29  C   LIG    1        4.879   3.933  -1.377  0.00  0.00    +0.101 C 
ATOM     30  N   LIG    1        4.765   2.597  -0.811  0.00  0.00    -0.309 NA
ATOM     31  H   LIG    1        5.574   2.403  -0.219  0.00  0.00    +0.122 HD
ENDBRANCH  27  30
ENDBRANCH  23  27
ENDBRANCH  22  24
BRANCH  22  32
ATOM     32  C   LIG    1        2.718  -0.586   2.162  0.00  0.00    -0.011 C 
ATOM     33  C   LIG    1        4.167  -0.594   2.698  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1        1.997  -1.809   2.762  0.00  0.00    +0.013 C 
ATOM     35  C   LIG    1        2.021   0.690   2.672  0.00  0.00    +0.013 C 
ENDBRANCH  22  32
ENDBRANCH   1  22
TORSDOF 7