* LIGAND DATABASE FILE (OPLS2005)
*
001      88    91    162    263     470
    1     0 S   NP   _N1_     1    29.36532    95.45988   -25.98851
    2     1 S   H    _HN1     2     1.02777   117.76777  -118.24280
    3     1 S   H    _H1_     3     1.02960    86.90876    -9.12309
    4     1 S   H    _H2_     4     1.02839    20.25155   176.87833
    5     1 S   CT   _CA1     5     1.50146   117.68006   102.31959
    6     5 S   HC   _HA1     6     1.09575   105.20974    80.09457
    7     5 S   CO3  _C1_     7     1.53792   112.29899   -40.07351
    8     7 S   O2Z  _O11     8     1.26367   114.98960   -44.65144
    9     7 S   O2Z  _O12     9     1.26230   114.93123   134.33241
   10     5 S   CT   _CB1    10     1.53093   107.41142  -162.02241
   11    10 S   HC   HB11    11     1.09828   109.33580   -50.42574
   12    10 S   HC   HB12    12     1.09816   110.42848    66.12639
   13    10 S   CT   _CG1    13     1.53021   112.68230  -171.48890
   14    13 S   HC   HG11    14     1.09598   110.48527   -64.22874
   15    13 S   HC   HG12    15     1.09653   109.93798    54.98194
   16    13 S   C    _CD1    16     1.51834   112.27482   175.34150
   17    16 S   O    _OE1    17     1.22771   123.31120     0.09691
   18    16 S   N    _N2_    18     1.38547   111.75698  -179.84423
   19    18 S   H    _HN2    19     1.01595   119.19876     3.26195
   20    18 S   CT1  _CA2    20     1.45961   122.90812   179.21093
   21    20 S   HC   _HA2    21     1.09662   109.85428    23.66680
   22    20 S   C    _C2_    22     1.52804   104.60979   -94.05091
   23    22 S   O    _O2_    23     1.22990   122.34418   -81.51304
   24    20 S   CT   _CB2    32     1.53347   111.65800   146.75102
   25    24 S   HC   HB21    33     1.09460   109.88836    54.47703
   26    24 S   HC   HB22    34     1.09398   109.34534   173.22205
   27    22 S   N    _N3_    24     1.38570   112.93502    93.95994
   28    27 S   H    _HN3    25     1.01567   119.58614     3.11565
   29    24 S   S    _SG2    35     1.83262   110.50229   -66.73675
   30    27 S   CT   _CA3    26     1.45421   123.04644  -178.98760
   31    30 S   HC   HA31    27     1.09524   109.66529    23.19713
   32    30 S   HC   HA32    28     1.09525   107.15479   139.96601
   33    29 S   CT   _C18    36     1.88147   102.46782   170.36036
   34    33 S   OM   _O35    37     1.32248   110.50730   -54.38380
   35    30 S   CO3  _C3_    29     1.52749   112.36171  -100.04549
   36    35 S   O2Z  _O31    30     1.26397   114.93970   -71.83785
   37    35 S   O2Z  _O32    31     1.26291   115.31534   108.61205
   38    33 S   CT   _C11    38     1.58644   108.52518    63.98686
   39    38 S   HC   _H6_    39     1.10071   107.66308   -60.76455
   40    33 S   OS   _O36    77     1.45071   111.26893  -179.73607
   41    38 S   CA   _C12    40     1.53709   115.30125  -178.40590
   42    38 S   C    _C10    51     1.54441   112.83444    56.13279
   43    42 S   O    _O34    52     1.22938   123.62110    41.05934
   44    40 S   CA   _C19    78     1.36631   125.08509    58.58535
   45    41 S   CA   _C13    41     1.40514   119.49584   108.37784
   46    45 S   HA   _H11    42     1.08740   120.39598    -0.58684
   47    42 S   N    _N5_    53     1.38897   112.82012  -141.08615
   48    47 S   H    _H10    54     1.01698   118.46163     1.28998
   49    44 S   CA   _C20    79     1.39515   127.02613    10.93701
   50    49 S   HA   _H16    80     1.08420   122.15476     0.04846
   51    45 S   CA   _C14    43     1.39623   120.78432   179.76761
   52    51 S   HA   _H12    44     1.08615   119.90836   179.82529
   53    47 S   C4T  _C8_    55     1.47667   122.47629  -179.07359
   54    53 S   HC   _H5_    56     1.09671   111.35570    53.56694
   55    49 S   CA   _C21    81     1.39869   120.30665   179.72948
   56    55 S   HA   _H17    82     1.08658   119.71161   179.82983
   57    51 S   CA   _C15    45     1.39257   120.07361    -0.00000
   58    57 S   HA   _H13    46     1.08595   120.07573   179.91607
   59    53 S   C4   _C9_    57     1.54713   115.48683   -76.51940
   60    59 S   O    _O33    58     1.20985   136.47448    52.62233
   61    53 S   C4T  _C7_    64     1.54561   116.44536  -174.39458
   62    61 S   HC   _H4_    65     1.09401   115.05019  -125.17460
   63    55 S   CA   _C22    83     1.39306   120.37462    -0.29208
   64    63 S   HA   _H18    84     1.08584   120.10261  -179.97202
   65    57 S   CA   _C16    47     1.39276   119.86258     0.00000
   66    65 S   HA   _H14    48     1.08622   120.00106   179.93439
   67    59 S   N4   _N4_    59     1.36217    91.01214  -121.81552
   68    63 S   CA   _C23    85     1.39161   119.72176    -0.12354
   69    68 S   HA   _H19    86     1.08592   120.13451  -179.87180
   70    41 S   CA   _C17    49     1.40363   122.09833   -71.90485
   71    70 S   HA   _H15    50     1.08673   120.72684     0.15323
   72    67 S   CT1  _C6_    60     1.45623   127.10465   137.90884
   73    72 S   HC   _H3_    61     1.09825   107.51527    29.17004
   74    44 S   CA   _C24    87     1.40081   114.09485  -169.96081
   75    74 S   HA   _H20    88     1.08763   119.91946     0.49138
   76    72 S   CT   _C5_    62     1.55107   105.10674   -87.59133
   77    72 S   CO3  _C25    74     1.54408   111.23132   146.96607
   78    77 S   O2Z  _O38    75     1.26341   116.28667    47.91009
   79    77 S   O2Z  _O37    76     1.26501   114.49144  -131.94061
   80    76 S   S    _S1_    63     1.86212   106.84029   -28.68125
   81    76 S   CT   _C4_    66     1.53226   114.32924  -149.21250
   82    81 S   HC   _H7_    67     1.09670   111.49623  -176.91733
   83    81 S   HC   _H8_    68     1.09526   112.54589    62.65279
   84    81 S   HC   _H9_    69     1.09607   110.60787   -57.81673
   85    76 S   CT   _C26    70     1.53881   110.84167    87.62070
   86    85 S   HC   _H21    71     1.09631   111.59083  -177.25334
   87    85 S   HC   _H22    72     1.09611   110.44767    63.49829
   88    85 S   HC   _H23    73     1.09430   112.70981   -56.11312
  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   8   5   4   3
  13   6   2   1   1  15   7   9  12   9   3   9   8   4   9   4
   8   4   6   3   9   6   6   3   5   3   9   3   9   4   5   3
   3   2   9   3   2   1   1  14   7   1   1  12   5   1   1   8
   7   3   2   1   3   2   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    42    40    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    45    70    42    43    47    40    44    49    74  
   38    39    41    42    40    44  
   36    37  
   37  
    0  
   39    41    45    46    51    65    70    71    42    43    47    48    53    40    44  
   41    45    70    42    43    47    40  
   44    49    50    55    68    74    75    41    42  
   45    46    51    52    57    65    66    70    71    42    43    47  
   43    47    48    53    54    59    61    45    70  
   47    48    53  
   49    50    55    56    63    68    69    74    75  
   46    51    52    57    58    65    70    71  
   51    52    57    70  
   48    53    54    59    60    67    80    61    62  
   53    54    59    61  
   50    55    56    63    64    68    74    75  
   55    56    63    74  
   52    57    58    65    66    70  
   57    58    65  
   54    59    60    67    72    76    80    61    62  
   59    60    67    80    61    62  
   56    63    64    68    69    74  
   63    64    68  
   58    65    66    70    71  
   65    66    70  
   60    67    72    73    76    80    61    62    77  
   67    72    61  
   62    81    85    77    67    72    73    76    80  
   67    72    76    80  
   64    68    69    74    75  
   68    69    74  
   66    70    71  
   70    71  
   72    73    76    80    81    85    77    78    79  
   69    74    75  
   74    75  
   71  
    0  
   73    76    80    81    82    83    84    85    86    87    88    77    78    79  
   76    80    81    85    77    78    79  
   75  
    0  
   80    81    82    83    84    85    86    87    88    77    78    79  
   78    79    80    81    85  
   79  
    0  
   81    82    83    84    85    86    87    88  
   82    83    84    85    86    87    88  
   83    84    85  
   84    85  
   85  
   86    87    88  
   87    88  
   88  
    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  -0.316400   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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   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   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   44   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   48   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   61   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   77   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   80   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   570.000  1.307
   33    38   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   317.000  1.510
   38    42   317.000  1.522
   41    45   469.000  1.400
   41    70   469.000  1.400
   45    46   367.000  1.080
   45    51   469.000  1.400
   51    52   367.000  1.080
   51    57   469.000  1.400
   57    58   367.000  1.080
   57    65   469.000  1.400
   65    66   367.000  1.080
   65    70   469.000  1.400
   70    71   367.000  1.080
   42    43   570.000  1.229
   42    47   490.000  1.335
   47    48   434.000  1.010
   47    53   337.000  1.449
   53    54   340.000  1.090
   53    59   250.000  1.540
   53    61   268.000  1.529
   59    60   930.000  1.212
   59    67   440.000  1.369
   67    72   337.000  1.449
   67    61   305.000  1.456
   72    73   340.000  1.090
   72    76   268.000  1.529
   72    77   317.000  1.522
   76    80   222.000  1.810
   76    81   268.000  1.529
   76    85   268.000  1.529
   80    61   200.000  1.824
   61    62   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   77    78   656.000  1.250
   77    79   656.000  1.250
   40    44   450.000  1.364
   44    49   469.000  1.400
   44    74   469.000  1.400
   49    50   367.000  1.080
   49    55   469.000  1.400
   55    56   367.000  1.080
   55    63   469.000  1.400
   63    64   367.000  1.080
   63    68   469.000  1.400
   68    69   367.000  1.080
   68    74   469.000  1.400
   74    75   367.000  1.080
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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    70.00000  112.17500
   33    38    42    63.00000  111.10000
   33    40    44    75.00000  111.00000
   38    33    34    50.00000  109.50000
   38    41    45    70.00000  120.00000
   38    41    70    70.00000  120.00000
   38    42    43    80.00000  120.40000
   38    42    47    70.00000  116.60000
   41    38    39    35.00000  109.50000
   41    45    46    35.00000  120.00000
   41    45    51    63.00000  120.00000
   41    70    65    63.00000  120.00000
   41    70    71    35.00000  120.00000
   45    51    52    35.00000  120.00000
   45    51    57    63.00000  120.00000
   51    45    46    35.00000  120.00000
   51    57    58    35.00000  120.00000
   51    57    65    63.00000  120.00000
   57    51    52    35.00000  120.00000
   57    65    66    35.00000  120.00000
   57    65    70    63.00000  120.00000
   65    57    58    35.00000  120.00000
   65    70    71    35.00000  120.00000
   70    41    45    63.00000  120.00000
   70    65    66    35.00000  120.00000
   42    38    39    35.00000  109.50000
   42    38    41    70.00000  109.44300
   42    47    48    35.00000  119.80000
   42    47    53    50.00000  121.90000
   47    42    43    80.00000  122.90000
   47    53    54    50.00000  112.01000
   47    53    59    75.00000  110.24000
   47    53    61    80.00000  110.05700
   53    47    48    38.00000  118.40000
   53    59    60    60.00000  136.58000
   53    59    67    95.00000   92.72400
   53    61    67   105.00000   87.49700
   53    61    80    65.00000  119.05700
   53    61    62    37.50000  110.70000
   59    53    54    40.00000  113.37500
   59    67    72    50.00000  132.10000
   59    67    61   100.00000   93.00000
   67    59    60    75.00000  131.60000
   67    72    73    35.00000  109.50000
   67    72    76    80.00000  109.70000
   67    72    77    63.00000  110.10000
   67    61    80    80.00000  108.62000
   67    61    62    50.00000  112.01000
   72    76    80    75.00000  108.68000
   72    76    81    58.35000  112.70000
   72    76    85    58.35000  112.70000
   72    77    78    70.00000  117.00000
   72    77    79    70.00000  117.00000
   76    72    73    37.50000  110.70000
   76    80    61    85.00000   99.86700
   76    81    82    37.50000  110.70000
   76    81    83    37.50000  110.70000
   76    81    84    37.50000  110.70000
   76    85    86    37.50000  110.70000
   76    85    87    37.50000  110.70000
   76    85    88    37.50000  110.70000
   80    61    62    45.00000  109.41400
   61    53    54    37.50000  110.70000
   61    53    59   100.00000   86.36000
   61    67    72    50.00000  132.70000
   81    76    80    75.00000  111.63000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   85    76    80    75.00000  111.63000
   85    76    81    58.35000  112.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   77    72    73    35.00000  109.50000
   77    72    76    63.00000  111.10000
   79    77    78    80.00000  126.00000
   40    33    34   110.00000  112.65000
   40    33    38    50.00000  109.50000
   40    44    49    70.00000  120.00000
   40    44    74    70.00000  120.00000
   44    49    50    35.00000  120.00000
   44    49    55    63.00000  120.00000
   44    74    68    63.00000  120.00000
   44    74    75    35.00000  120.00000
   49    55    56    35.00000  120.00000
   49    55    63    63.00000  120.00000
   55    49    50    35.00000  120.00000
   55    63    64    35.00000  120.00000
   55    63    68    63.00000  120.00000
   63    55    56    35.00000  120.00000
   63    68    69    35.00000  120.00000
   63    68    74    63.00000  120.00000
   68    63    64    35.00000  120.00000
   68    74    75    35.00000  120.00000
   74    44    49    63.00000  120.00000
   74    68    69    35.00000  120.00000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  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    40    44   0.14700  1.0 1.0
   29    33    40    44  -1.16150 -1.0 2.0
   29    33    40    44   0.48700  1.0 3.0
   33    38    41    45   0.04150 -1.0 2.0
   33    38    41    70   0.04150 -1.0 2.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    47   1.39750  1.0 1.0
   33    38    42    47  -0.07950 -1.0 2.0
   33    38    42    47  -0.18750  1.0 3.0
   33    40    44    49   1.63200 -1.0 2.0
   33    40    44    74   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    41  -0.64350  1.0 1.0
   34    33    38    41  -0.04200 -1.0 2.0
   34    33    38    41   0.19800  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    40    44  -0.25600  1.0 1.0
   34    33    40    44  -0.40050 -1.0 2.0
   34    33    40    44   0.34700  1.0 3.0
   38    33    40    44  -0.32850  1.0 1.0
   38    33    40    44  -0.35800 -1.0 2.0
   38    33    40    44   0.33950  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    51   3.62500 -1.0 2.0
   38    41    70    65   3.62500 -1.0 2.0
   38    41    70    71   3.62500 -1.0 2.0
   38    42    47    48   2.45000 -1.0 2.0
   38    42    47    53   1.49850  1.0 1.0
   38    42    47    53   1.53950 -1.0 2.0
   39    38    41    45   0.00000  1.0 1.0
   39    38    41    70   0.00000  1.0 1.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    47   0.00000  1.0 1.0
   41    38    42    43   0.30150 -1.0 2.0
   41    38    42    47   0.00000  1.0 1.0
   41    45    51    52   3.62500 -1.0 2.0
   41    45    51    57   3.62500 -1.0 2.0
   45    41    70    65   3.62500 -1.0 2.0
   45    41    70    71   3.62500 -1.0 2.0
   45    51    57    58   3.62500 -1.0 2.0
   45    51   -57    65   3.62500 -1.0 2.0
   46    45    51    52   3.62500 -1.0 2.0
   46    45    51    57   3.62500 -1.0 2.0
   51    57    65    66   3.62500 -1.0 2.0
   51    57    65    70   3.62500 -1.0 2.0
   52    51    57    58   3.62500 -1.0 2.0
   52    51    57    65   3.62500 -1.0 2.0
   57    65   -70    41   3.62500 -1.0 2.0
   57    65    70    71   3.62500 -1.0 2.0
   58    57    65    66   3.62500 -1.0 2.0
   58    57    65    70   3.62500 -1.0 2.0
   66    65    70    41   3.62500 -1.0 2.0
   66    65    70    71   3.62500 -1.0 2.0
   70    41    45    46   3.62500 -1.0 2.0
   70    41   -45    51   3.62500 -1.0 2.0
   42    38    41    45   0.04300 -1.0 2.0
   42    38    41    70   0.04300 -1.0 2.0
   42    47    53    54   0.00000  1.0 1.0
   42    47    53    59  -0.42300  1.0 1.0
   42    47    53    59  -0.07000 -1.0 2.0
   42    47    53    59   0.04150  1.0 3.0
   42    47    53    61  -0.43950  1.0 1.0
   42    47    53    61  -0.08100 -1.0 2.0
   42    47    53    61   0.03350  1.0 3.0
   43    42    47    48   2.45000 -1.0 2.0
   43    42    47    53   3.04450 -1.0 2.0
   47    53    59    60   0.30150 -1.0 2.0
   47    53    59    67   0.00000  1.0 1.0
   47    53   -61    67   2.20050  1.0 1.0
   47    53   -61    67   0.63450 -1.0 2.0
   47    53   -61    67  -0.91300  1.0 3.0
   47    53    61    80   0.00000  1.0 1.0
   47    53    61    62   0.15000  1.0 3.0
   48    47    53    54   0.00000  1.0 1.0
   48    47    53    59   0.00000  1.0 1.0
   48    47    53    61   0.00000  1.0 1.0
   53    59    67    72   3.00000 -1.0 2.0
   53    59   -67    61   3.00000 -1.0 2.0
   54    53    59    60   0.00000  1.0 1.0
   54    53    59    67   0.00000  1.0 1.0
   54    53   -61    67   0.15000  1.0 3.0
   54    53    61    80   0.00000  1.0 1.0
   54    53    61    62   0.15000  1.0 3.0
   59    53   -61    67   3.00000 -1.0 2.0
   59    53    61    80   0.00000  1.0 1.0
   59    53    61    62   0.15000  1.0 3.0
   59    67    72    73   0.00000  1.0 1.0
   59    67    72    76   0.00000  1.0 1.0
   59    67    72    77   0.00000  1.0 1.0
   59    67   -61    53   0.00000  1.0 1.0
   59    67   -61    80   0.00000  1.0 1.0
   59    67   -61    62   0.00000  1.0 1.0
   60    59    67    72   3.00000 -1.0 2.0
   60    59    67    61   3.00000 -1.0 2.0
   67    72   -76    80   0.71400  1.0 1.0
   67    72   -76    80   0.04300 -1.0 2.0
   67    72   -76    80   0.01450  1.0 3.0
   67    72    76    81   0.42250  1.0 1.0
   67    72    76    81  -0.48100 -1.0 2.0
   67    72    76    81   0.35650  1.0 3.0
   67    72    76    85   0.42250  1.0 1.0
   67    72    76    85  -0.48100 -1.0 2.0
   67    72    76    85   0.35650  1.0 3.0
   67    72    77    78   0.00000  1.0 1.0
   67    72    77    79   0.00000  1.0 1.0
   72    67   -61    53   0.00000  1.0 1.0
   72    67   -61    80   0.00000  1.0 1.0
   72    67    61    62   0.00000  1.0 1.0
   72    76   -80    61  -0.25000 -1.0 2.0
   72    76   -80    61  -0.01800  1.0 3.0
   72    76    81    82   0.15000  1.0 3.0
   72    76    81    83   0.15000  1.0 3.0
   72    76    81    84   0.15000  1.0 3.0
   72    76    85    86   0.15000  1.0 3.0
   72    76    85    87   0.15000  1.0 3.0
   72    76    85    88   0.15000  1.0 3.0
   73    72    76    80   0.15000  1.0 3.0
   73    72    76    81   0.15000  1.0 3.0
   73    72    76    85   0.15000  1.0 3.0
   73    72    77    78   0.00000  1.0 1.0
   73    72    77    79   0.00000  1.0 1.0
   76    72    77    78   0.00000  1.0 1.0
   76    72    77    79   0.00000  1.0 1.0
   76    80    61    53   0.25150  1.0 1.0
   76    80    61    53  -1.17200 -1.0 2.0
   76    80    61    53   0.53050  1.0 3.0
   76    80   -61    67   0.01700  1.0 1.0
   76    80   -61    67  -0.23550 -1.0 2.0
   76    80   -61    67   0.21350  1.0 3.0
   76    80    61    62   0.00000  1.0 1.0
   80    76    81    82   0.15000  1.0 3.0
   80    76    81    83   0.15000  1.0 3.0
   80    76    81    84   0.15000  1.0 3.0
   80    76    85    86   0.15000  1.0 3.0
   80    76    85    87   0.15000  1.0 3.0
   80    76    85    88   0.15000  1.0 3.0
   61    53   -59    60  -0.11250  1.0 1.0
   61    53   -59    60   0.11400 -1.0 2.0
   61    53   -59    60  -0.28950  1.0 3.0
   61    53   -59    67   3.00000 -1.0 2.0
   61    67    72    73   0.00000  1.0 1.0
   61    67   -72    76   0.00000  1.0 1.0
   61    67    72    77   0.00000  1.0 1.0
   81    76    80    61  -0.25000 -1.0 2.0
   81    76    80    61  -0.01800  1.0 3.0
   81    76    85    86   0.15000  1.0 3.0
   81    76    85    87   0.15000  1.0 3.0
   81    76    85    88   0.15000  1.0 3.0
   85    76    80    61  -0.25000 -1.0 2.0
   85    76    80    61  -0.01800  1.0 3.0
   85    76    81    82   0.15000  1.0 3.0
   85    76    81    83   0.15000  1.0 3.0
   85    76    81    84   0.15000  1.0 3.0
   77    72    76    80  -2.17200  1.0 1.0
   77    72    76    80  -0.85700 -1.0 2.0
   77    72    76    81  -0.84850  1.0 1.0
   77    72    76    81  -0.22800 -1.0 2.0
   77    72    76    81   0.29250  1.0 3.0
   77    72    76    85  -0.84850  1.0 1.0
   77    72    76    85  -0.22800 -1.0 2.0
   77    72    76    85   0.29250  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    41  -0.64350  1.0 1.0
   40    33    38    41  -0.04200 -1.0 2.0
   40    33    38    41   0.19800  1.0 3.0
   40    33    38    42  -0.09450  1.0 1.0
   40    33    38    42  -1.12950 -1.0 2.0
   40    33    38    42   0.54000  1.0 3.0
   40    44    49    50   3.62500 -1.0 2.0
   40    44    49    55   3.62500 -1.0 2.0
   40    44    74    68   3.62500 -1.0 2.0
   40    44    74    75   3.62500 -1.0 2.0
   44    49    55    56   3.62500 -1.0 2.0
   44    49    55    63   3.62500 -1.0 2.0
   49    44    74    68   3.62500 -1.0 2.0
   49    44    74    75   3.62500 -1.0 2.0
   49    55    63    64   3.62500 -1.0 2.0
   49    55   -63    68   3.62500 -1.0 2.0
   50    49    55    56   3.62500 -1.0 2.0
   50    49    55    63   3.62500 -1.0 2.0
   55    63    68    69   3.62500 -1.0 2.0
   55    63    68    74   3.62500 -1.0 2.0
   56    55    63    64   3.62500 -1.0 2.0
   56    55    63    68   3.62500 -1.0 2.0
   63    68   -74    44   3.62500 -1.0 2.0
   63    68    74    75   3.62500 -1.0 2.0
   64    63    68    69   3.62500 -1.0 2.0
   64    63    68    74   3.62500 -1.0 2.0
   69    68    74    44   3.62500 -1.0 2.0
   69    68    74    75   3.62500 -1.0 2.0
   74    44    49    50   3.62500 -1.0 2.0
   74    44   -49    55   3.62500 -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
   45    70    41    38   4.00000 -1.0 2.0
   51    46    45    41   1.10000 -1.0 2.0
   57    52    51    45   1.10000 -1.0 2.0
   65    58    57    51   1.10000 -1.0 2.0
   70    66    65    57   1.10000 -1.0 2.0
   65    71    70    41   1.10000 -1.0 2.0
   38    47    42    43  10.50000 -1.0 2.0
   48    42    47    53   1.00000 -1.0 2.0
   53    67    59    60  10.50000 -1.0 2.0
   61    59    67    72   1.00000 -1.0 2.0
   78    72    77    79  10.50000 -1.0 2.0
   49    74    44    40   4.00000 -1.0 2.0
   55    50    49    44   1.10000 -1.0 2.0
   63    56    55    49   1.10000 -1.0 2.0
   68    64    63    55   1.10000 -1.0 2.0
   74    69    68    63   1.10000 -1.0 2.0
   68    75    74    44   1.10000 -1.0 2.0
END
