* LIGAND DATABASE FILE (OPLS2005)
*
001      68    68    122    176     357
    1     0 S   NP   _N1_     1    30.06115    92.47943   -17.70743
    2     1 S   H    _HN1     2     1.03591   141.85840    77.61532
    3     1 S   H    _H1_     3     1.02762    35.41838    94.00197
    4     1 S   H    _H2_     4     1.02745    86.15958   -35.13945
    5     1 S   CT   _CA1     5     1.50133    96.03762  -146.85546
    6     5 S   HC   _HA1     6     1.09560   105.35494    34.98415
    7     5 S   CO3  _C1_     7     1.53828   112.55861   -85.46735
    8     7 S   O2Z  _O11     8     1.26384   115.37264   -51.76163
    9     7 S   O2Z  _O12     9     1.26283   114.77974   127.42455
   10     5 S   CT   _CB1    10     1.52821   106.94063   152.92378
   11    10 S   HC   HB11    11     1.09865   109.65040   -50.06538
   12    10 S   HC   HB12    12     1.09726   109.74098    65.75543
   13    10 S   CT   _CG1    13     1.53093   113.57011  -171.51714
   14    13 S   HC   HG11    14     1.09541   111.54716   -58.40352
   15    13 S   HC   HG12    15     1.09543   110.82392    61.49611
   16    13 S   C    _CD1    16     1.51461   109.01250  -178.80417
   17    16 S   O    _OE1    17     1.22790   122.07832  -100.77884
   18    16 S   N    _N2_    18     1.38344   112.36314    76.23834
   19    18 S   H    _HN2    19     1.01606   119.13042     9.20850
   20    18 S   CT1  _CA2    20     1.45826   123.21074  -170.01450
   21    20 S   HC   _HA2    21     1.09663   109.52627    21.06220
   22    20 S   C    _C2_    22     1.52575   105.31414   -97.19732
   23    22 S   O    _O2_    23     1.22974   122.36946   -78.84149
   24    20 S   CT   _CB2    32     1.53399   110.99056   142.92595
   25    24 S   HC   HB21    33     1.09575   110.26123    58.50106
   26    24 S   HC   HB22    34     1.09489   110.16974   177.75729
   27    22 S   N    _N3_    24     1.38519   112.83002    96.82455
   28    27 S   H    _HN3    25     1.01529   119.64952     3.61373
   29    24 S   S    _SG2    35     1.83025   110.74590   -61.46096
   30    27 S   CT   _CA3    26     1.45466   123.05643  -179.90513
   31    30 S   HC   HA31    27     1.09531   109.08693    27.67720
   32    30 S   HC   HA32    28     1.09492   107.13328   144.66887
   33    29 S   CT   _C7_    36     1.84356    99.53660   169.88448
   34    33 S   HC   _H6_    37     1.09624   106.93160   -32.79726
   35    30 S   CO3  _C3_    29     1.52967   113.46800   -95.63640
   36    35 S   O2Z  _O31    30     1.26380   115.62534   -38.63096
   37    35 S   O2Z  _O32    31     1.26395   114.83438   142.35136
   38    33 S   CT   _C6_    38     1.53945   109.80388    86.56847
   39    38 S   HC   _H5_    39     1.09516   111.36579   -59.31329
   40    38 S   CT   _C5_    40     1.53786   110.88965   178.37057
   41    40 S   HC   _H4_    41     1.09667   109.95669    65.10603
   42    38 S   OH   _O41    67     1.43473   109.65758    58.82370
   43    42 S   HO   _H11    68     0.97283   106.83409   -58.75150
   44    40 S   CT   _C4_    42     1.53703   110.70706   -56.12051
   45    44 S   HC   _H3_    43     1.09619   109.91779   -65.29949
   46    40 S   OS   _O42    62     1.42997   108.98253  -175.84579
   47    44 S   CT   _C9_    44     1.53628   111.33038    56.64443
   48    47 S   HC   _H8_    45     1.09494   110.15913  -179.78060
   49    44 S   OH   _O46    60     1.42743   109.99586   178.53821
   50    49 S   HO   _H12    61     0.97380   107.73701   -70.40007
   51    46 S   P3   _P3_    63     1.64973   119.14126  -101.50286
   52    51 S   O2Z  _O44    64     1.52520   103.61901   176.70657
   53    51 S   O2Z  _O45    65     1.52540   104.73409    56.94381
   54    51 S   O2Z  _O43    66     1.52519   104.55614   -63.53086
   55    33 S   CT   _C8_    46     1.54748   110.10304  -150.64992
   56    55 S   HC   _H7_    47     1.09773   110.38596   -57.12168
   57    47 S   OS   _O33    54     1.43535   108.73669    61.30911
   58    55 S   OS   _O37    48     1.43025   109.24197    63.21691
   59    57 S   P2   _P1_    55     1.63045   121.02227   112.97070
   60    59 S   O2Z  _O36    56     1.51134   109.38094   -56.49554
   61    59 S   O2Z  _O34    57     1.51185   108.43818   170.10336
   62    58 S   P2   _P2_    49     1.62996   119.44028  -140.02917
   63    62 S   O2Z  _O40    50     1.51240   109.50368    83.03461
   64    62 S   O2Z  _O38    51     1.51051   110.17970   -51.88461
   65    59 S   OS   _O35    58     1.62838    99.90992    57.47992
   66    65 S   HO   _H9_    59     0.97939   117.08971    72.63037
   67    62 S   OS   _O39    52     1.63024    98.19042  -164.99183
   68    67 S   HO   _H10    53     0.98458   116.70572   -79.66130
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  14   7  16   7   4   1  12   7   6  12   6
   3   1   3   2   1   1   8   3   6   5   4   3   2   4   3   2
   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    55    56    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    48    55    56    58    62    57    46    42    43  
   38    39    40    47    55    56    58    42  
   36    37  
   37  
    0  
   39    40    41    44    45    47    55    56    58    49    46    51    42    43  
   40    41    44    55    46    42    43  
   41    44    45    47    48    55    57    49    50    46    51    52    53    54    42    43  
   44    45    47    49    46    51    42  
   43    44    46    55  
    0  
   45    47    48    55    56    58    57    59    49    50    46    51  
   47    48    55    57    49    50    46  
   51    52    53    54    47    49  
   48    55    56    58    62    57    59    60    61    65    49    50  
   55    56    58    57    59    49  
   50    55    57  
    0  
   52    53    54  
   53    54  
   54  
    0  
   56    58    62    63    64    67    57    59  
   58    62    57  
   59    60    61    65    66    58  
   62    63    64    67    68  
   60    61    65    66  
   61    65    66  
   65    66  
   63    64    67    68  
   64    67    68  
   67    68  
   66  
    0  
   68  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.760000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   52   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   53   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   54   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   55   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   58   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   60   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   61   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   62   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   63   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   64   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   65   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   67   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    55   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    47   268.000  1.529
   44    49   320.000  1.410
   47    48   340.000  1.090
   47    55   268.000  1.529
   47    57   320.000  1.410
   55    56   340.000  1.090
   55    58   320.000  1.410
   58    62   230.000  1.697
   62    63   525.000  1.480
   62    64   525.000  1.480
   62    67   230.000  1.697
   67    68   553.000  0.945
   57    59   230.000  1.697
   59    60   525.000  1.480
   59    61   525.000  1.480
   59    65   230.000  1.697
   65    66   553.000  0.945
   49    50   553.000  0.945
   46    51   230.000  1.630
   51    52   525.000  1.516
   51    53   525.000  1.516
   51    54   525.000  1.516
   42    43   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    55    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    55    47    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    58    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    47    58.35000  112.70000
   40    44    49    50.00000  109.50000
   40    46    51    80.00000  112.68000
   44    40    41    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    55    58.35000  112.70000
   44    47    57    50.00000  109.50000
   44    49    50    55.00000  108.50000
   47    44    45    37.50000  110.70000
   47    55    56    37.50000  110.70000
   47    55    58    50.00000  109.50000
   47    57    59   100.00000  120.50000
   55    33    34    37.50000  110.70000
   55    33    38    58.35000  112.70000
   55    47    48    37.50000  110.70000
   55    58    62   100.00000  120.50000
   58    55    56    35.00000  109.50000
   58    62    63   100.00000  108.23000
   58    62    64   100.00000  108.23000
   58    62    67    45.00000  102.60000
   62    67    68    45.00000  108.50000
   64    62    63   140.00000  119.90000
   67    62    63   100.00000  108.23000
   67    62    64   100.00000  108.23000
   57    47    48    35.00000  109.50000
   57    47    55    50.00000  109.50000
   57    59    60   100.00000  108.23000
   57    59    61   100.00000  108.23000
   57    59    65    45.00000  102.60000
   59    65    66    45.00000  108.50000
   61    59    60   140.00000  119.90000
   65    59    60   100.00000  108.23000
   65    59    61   100.00000  108.23000
   49    44    45    35.00000  109.50000
   49    44    47    50.00000  109.50000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   46    51    52   100.00000  107.00000
   46    51    53   100.00000  107.00000
   46    51    54   100.00000  107.00000
   53    51    52   140.00000  114.00000
   54    51    52   140.00000  114.00000
   54    51    53   140.00000  114.00000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    55    47   0.44750  1.0 1.0
   29    33    55    47  -0.17800 -1.0 2.0
   29    33    55    47   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    58   0.56750  1.0 1.0
   29    33    55    58  -0.07550 -1.0 2.0
   29    33    55    58   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.62750  1.0 1.0
   33    38    40    46  -0.30950 -1.0 2.0
   33    38    40    46   0.27300  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    55    58    62  -2.65550  1.0 1.0
   33    55    58    62  -0.22350 -1.0 2.0
   33    55    58    62   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    55    47   0.15000  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    58   0.23400  1.0 3.0
   38    33    55    47   0.56750  1.0 1.0
   38    33    55    47  -0.07550 -1.0 2.0
   38    33    55    47   0.20000  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    58   0.62750  1.0 1.0
   38    33    55    58  -0.30950 -1.0 2.0
   38    33    55    58   0.27300  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    47   0.56750  1.0 1.0
   38    40   -44    47  -0.07550 -1.0 2.0
   38    40   -44    47   0.20000  1.0 3.0
   38    40    44    49   0.86500  1.0 1.0
   38    40    44    49  -0.17500 -1.0 2.0
   38    40    44    49   0.20800  1.0 3.0
   38    40    46    51  -2.65550  1.0 1.0
   38    40    46    51  -0.22350 -1.0 2.0
   38    40    46    51   0.24150  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    47    48   0.15000  1.0 3.0
   40    44    47    55   0.56750  1.0 1.0
   40    44    47    55  -0.07550 -1.0 2.0
   40    44    47    55   0.20000  1.0 3.0
   40    44    47    57   0.62750  1.0 1.0
   40    44    47    57  -0.30950 -1.0 2.0
   40    44    47    57   0.27300  1.0 3.0
   40    44    49    50  -0.11600  1.0 1.0
   40    44    49    50  -0.09450 -1.0 2.0
   40    44    49    50   0.21250  1.0 3.0
   40    46    51    52   0.00000  1.0 1.0
   40    46    51    53   0.00000  1.0 1.0
   40    46    51    54   0.00000  1.0 1.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    40    44    49   0.23400  1.0 3.0
   41    40    46    51   0.03000  1.0 3.0
   44    40    46    51  -2.65550  1.0 1.0
   44    40    46    51  -0.22350 -1.0 2.0
   44    40    46    51   0.24150  1.0 3.0
   44    47   -55    33   0.56750  1.0 1.0
   44    47   -55    33  -0.07550 -1.0 2.0
   44    47   -55    33   0.20000  1.0 3.0
   44    47    55    56   0.15000  1.0 3.0
   44    47    55    58   0.62750  1.0 1.0
   44    47    55    58  -0.30950 -1.0 2.0
   44    47    55    58   0.27300  1.0 3.0
   44    47    57    59  -2.65550  1.0 1.0
   44    47    57    59  -0.22350 -1.0 2.0
   44    47    57    59   0.24150  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    55   0.15000  1.0 3.0
   45    44    47    57   0.23400  1.0 3.0
   45    44    49    50   0.19450  1.0 3.0
   47    44    49    50  -0.11600  1.0 1.0
   47    44    49    50  -0.09450 -1.0 2.0
   47    44    49    50   0.21250  1.0 3.0
   47    55    58    62  -2.65550  1.0 1.0
   47    55    58    62  -0.22350 -1.0 2.0
   47    55    58    62   0.24150  1.0 3.0
   47    57    59    60   0.00000  1.0 1.0
   47    57    59    61   0.00000  1.0 1.0
   47    57    59    65   0.05050  1.0 1.0
   47    57    59    65  -1.30700 -1.0 2.0
   47    57    59    65   0.91550  1.0 3.0
   48    47    55    33   0.15000  1.0 3.0
   48    47    55    56   0.15000  1.0 3.0
   48    47    55    58   0.23400  1.0 3.0
   48    47    57    59   0.03000  1.0 3.0
   55    33    38    39   0.15000  1.0 3.0
   55    33   -38    40   0.56750  1.0 1.0
   55    33   -38    40  -0.07550 -1.0 2.0
   55    33   -38    40   0.20000  1.0 3.0
   55    33    38    42   0.86500  1.0 1.0
   55    33    38    42  -0.17500 -1.0 2.0
   55    33    38    42   0.20800  1.0 3.0
   55    47    57    59  -2.65550  1.0 1.0
   55    47    57    59  -0.22350 -1.0 2.0
   55    47    57    59   0.24150  1.0 3.0
   55    58    62    63   0.00000  1.0 1.0
   55    58    62    64   0.00000  1.0 1.0
   55    58    62    67   0.05050  1.0 1.0
   55    58    62    67  -1.30700 -1.0 2.0
   55    58    62    67   0.91550  1.0 3.0
   56    55    58    62   0.03000  1.0 3.0
   58    62    67    68   0.00000  1.0 1.0
   63    62    67    68   0.00000  1.0 1.0
   64    62    67    68   0.00000  1.0 1.0
   57    47    55    33   0.62750  1.0 1.0
   57    47    55    33  -0.30950 -1.0 2.0
   57    47    55    33   0.27300  1.0 3.0
   57    47    55    56   0.23400  1.0 3.0
   57    47    55    58   1.11900  1.0 1.0
   57    47    55    58  -1.16350 -1.0 2.0
   57    47    55    58  -0.34150  1.0 3.0
   57    59    65    66   0.00000  1.0 1.0
   60    59    65    66   0.00000  1.0 1.0
   61    59    65    66   0.00000  1.0 1.0
   49    44    47    48   0.23400  1.0 3.0
   49    44    47    55   0.86500  1.0 1.0
   49    44    47    55  -0.17500 -1.0 2.0
   49    44    47    55   0.20800  1.0 3.0
   49    44    47    57   3.69350  1.0 1.0
   49    44    47    57  -1.82950 -1.0 2.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    47   0.62750  1.0 1.0
   46    40    44    47  -0.30950 -1.0 2.0
   46    40    44    47   0.27300  1.0 3.0
   46    40    44    49   3.69350  1.0 1.0
   46    40    44    49  -1.82950 -1.0 2.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   3.69350  1.0 1.0
   42    38    40    46  -1.82950 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
END
