REMARK  Name = LIG000743
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.136   0.655   0.971  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1       -5.675  -0.171  -0.039  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -4.816  -0.869  -0.891  0.00  0.00    +0.064 A 
ATOM      4  C   LIG    1       -3.433  -0.739  -0.729  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1       -2.884   0.071   0.260  0.00  0.00    +0.083 A 
ATOM      6  N   LIG    1       -1.498   0.216   0.435  0.00  0.00    -0.216 NA
ATOM      7  C   LIG    1       -0.686  -0.450  -0.330  0.00  0.00    +0.199 A 
ATOM      8  N   LIG    1       -1.167  -1.270  -1.319  0.00  0.00    -0.294 N 
ATOM      9  H   LIG    1       -0.522  -1.695  -1.964  0.00  0.00    +0.172 HD
ATOM     10  C   LIG    1       -2.495  -1.451  -1.606  0.00  0.00    +0.261 A 
ATOM     11  O   LIG    1       -2.875  -2.152  -2.537  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1       -3.745   0.768   1.109  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   7  13
ATOM     13  N   LIG    1        0.687  -0.347  -0.209  0.00  0.00    -0.297 N 
ATOM     14  C   LIG    1        1.533  -1.549  -0.212  0.00  0.00    +0.113 C 
ATOM     15  C   LIG    1        2.915  -1.213  -0.782  0.00  0.00    +0.054 C 
ATOM     16  C   LIG    1        3.499   0.020  -0.138  0.00  0.00    -0.041 C 
ATOM     17  C   LIG    1        2.695   0.881   0.514  0.00  0.00    -0.004 C 
ATOM     18  C   LIG    1        1.205   0.725   0.656  0.00  0.00    +0.135 C 
BRANCH  16  19
ATOM     19  C   LIG    1        4.952   0.253  -0.260  0.00  0.00    -0.022 A 
ATOM     20  C   LIG    1        5.713   0.652   0.850  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1        7.093   0.857   0.738  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1        7.733   0.663  -0.488  0.00  0.00    +0.052 A 
ATOM     23  C   LIG    1        6.987   0.262  -1.599  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1        5.608   0.056  -1.483  0.00  0.00    +0.009 A 
BRANCH  22  25
ATOM     25  C   LIG    1        9.146   0.873  -0.606  0.00  0.00    +0.099 C 
ATOM     26  N   LIG    1       10.291   1.042  -0.700  0.00  0.00    -0.191 NA
ENDBRANCH  22  25
ENDBRANCH  16  19
ENDBRANCH   7  13
BRANCH   1  28
ATOM     27  C   LIG    1       -5.545   2.156   2.786  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -6.048   1.305   1.766  0.00  0.00    -0.491 OA
ENDBRANCH   1  28
BRANCH   2  29
ATOM     29  O   LIG    1       -7.045  -0.226  -0.107  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -7.624  -1.034  -1.122  0.00  0.00    +0.277 C 
ENDBRANCH   2  29
TORSDOF 5