REMARK  Name = LIG000439
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.271   1.791  -0.993  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1        1.017   0.799  -1.659  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1        2.177   0.334  -1.063  0.00  0.00    -0.018 A 
ATOM      4  C   LIG    1        3.163  -0.674  -1.550  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1        4.099  -0.773  -0.438  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        3.840   0.171   0.540  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1        4.508   0.450   1.515  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.588   0.839   0.168  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        1.883   1.809   0.851  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.710   2.283   0.260  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        5.330  -1.548  -0.561  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        6.497  -0.632  -0.930  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        6.508   0.026  -1.972  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        7.526  -0.533  -0.031  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        8.284   0.082  -0.294  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        7.613  -1.063   1.229  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        8.603  -0.851   1.926  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        6.447  -1.880   1.722  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        5.636  -2.495   0.597  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1       -1.012   2.316  -1.592  0.00  0.00    +0.139 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -2.897   2.249  -0.003  0.00  0.00    +0.230 C 
ATOM     22  N   LIG    1       -2.155   1.655  -1.004  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -2.230   0.657  -1.142  0.00  0.00    +0.149 HD
ATOM     24  O   LIG    1       -2.656   3.382   0.411  0.00  0.00    -0.274 OA
BRANCH  21  25
ATOM     25  C   LIG    1       -3.995   1.345   0.615  0.00  0.00    +0.142 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -4.717   2.096   1.665  0.00  0.00    -0.320 NA
ATOM     27  H   LIG    1       -4.044   2.693   2.153  0.00  0.00    +0.119 HD
ATOM     28  H   LIG    1       -5.093   1.444   2.350  0.00  0.00    +0.119 HD
ENDBRANCH  25  26
BRANCH  25  29
ATOM     29  C   LIG    1       -4.981   0.838  -0.453  0.00  0.00    +0.063 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -5.884  -0.270   0.049  0.00  0.00    -0.045 A 
ATOM     31  C   LIG    1       -5.448  -1.604   0.040  0.00  0.00    +0.006 A 
ATOM     32  C   LIG    1       -6.279  -2.618   0.516  0.00  0.00    +0.038 A 
ATOM     33  C   LIG    1       -7.542  -2.300   1.001  0.00  0.00    +0.123 A 
ATOM     34  F   LIG    1       -8.338  -3.276   1.458  0.00  0.00    -0.205 F 
ATOM     35  C   LIG    1       -7.990  -0.986   1.022  0.00  0.00    +0.038 A 
ATOM     36  C   LIG    1       -7.161   0.031   0.546  0.00  0.00    +0.006 A 
ENDBRANCH  29  30
ENDBRANCH  25  29
ENDBRANCH  21  25
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7