* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    141    215     407
    1     0 S   NP   _N1_     1    30.04393    93.65050   -25.81092
    2     1 S   H    _HN1     2     1.02792   125.33785   -97.45305
    3     1 S   H    _H1_     3     1.02949    82.41794     9.73070
    4     1 S   H    _H2_     4     1.02828    26.10173  -151.20320
    5     1 S   CT   _CA1     5     1.50121   113.19518   118.74378
    6     5 S   HC   _HA1     6     1.09573   105.17503    87.26284
    7     5 S   CO3  _C1_     7     1.53780   112.48940   -32.94775
    8     7 S   O2Z  _O11     8     1.26373   115.00661   -42.04186
    9     7 S   O2Z  _O12     9     1.26241   114.94669   137.05782
   10     5 S   CT   _CB1    10     1.53075   107.41808  -154.76250
   11    10 S   HC   HB11    11     1.09837   109.34096   -49.58710
   12    10 S   HC   HB12    12     1.09811   110.46110    67.01495
   13    10 S   CT   _CG1    13     1.53004   112.62655  -170.55094
   14    13 S   HC   HG11    14     1.09576   110.66575   -66.54311
   15    13 S   HC   HG12    15     1.09672   109.74479    52.69269
   16    13 S   C    _CD1    16     1.51808   112.15693   173.14591
   17    16 S   O    _OE1    17     1.22742   123.23935     8.92108
   18    16 S   N    _N2_    18     1.38652   111.71640  -171.01281
   19    18 S   H    _HN2    19     1.01562   118.96603     1.50935
   20    18 S   CT1  _CA2    20     1.46233   123.43914   177.27523
   21    20 S   HC   _HA2    21     1.09749   109.31160     6.83294
   22    20 S   C    _C2_    22     1.53660   108.70003  -108.63496
   23    22 S   O    _O2_    23     1.23074   122.33351  -147.55774
   24    20 S   CT   _CB2    32     1.53425   111.65488   128.81901
   25    24 S   HC   HB21    33     1.09496   109.85128    56.26467
   26    24 S   HC   HB22    34     1.09358   109.60453   175.00099
   27    22 S   N    _N3_    24     1.38344   113.79412    39.89040
   28    27 S   H    _HN3    25     1.01552   119.61149    -3.01720
   29    24 S   S    _SG2    35     1.82895   111.18844   -64.39855
   30    27 S   CT   _CA3    26     1.45282   123.24513   177.22378
   31    30 S   HC   HA31    27     1.09549   107.48894   -65.24533
   32    30 S   HC   HA32    28     1.09557   108.01810    51.20856
   33    29 S   CT   _C14    36     1.84856   101.19464  -167.60156
   34    33 S   OM   _O35    37     1.31929   110.20672   178.06447
   35    30 S   CO3  _C3_    29     1.52968   114.06087   173.22526
   36    35 S   O2Z  _O31    30     1.26380   116.07783    -0.62714
   37    35 S   O2Z  _O32    31     1.26426   114.41612   179.43664
   38    33 S   CT   _C15    38     1.54536   107.57103   -66.87535
   39    38 S   HC   _H9_    39     1.09656   111.55803    67.23458
   40    38 S   HC   _H10    40     1.09821   113.28689   -55.38859
   41    38 S   HC   _H11    41     1.10014   111.20481  -176.37663
   42    33 S   OS   _O34    42     1.44658   114.68554    48.91887
   43    42 S   CA   _C12    43     1.36681   124.03281    59.14659
   44    43 S   CA   _C11    44     1.39634   114.36700  -170.45202
   45    44 S   HA   _H7_    45     1.08780   119.96179    -0.08156
   46    44 S   CA   _C10    46     1.39892   120.95571   179.83449
   47    46 S   HA   _H6_    47     1.08662   117.55277   179.89347
   48    46 S   CA   _C9_    48     1.40127   120.95100    -0.22468
   49    48 S   CA   _C8_    49     1.39703   117.54636    -0.04423
   50    43 S   CA   _C13    50     1.39124   127.07060     9.88897
   51    50 S   HA   _H8_    51     1.08483   121.74232     0.89351
   52    49 S   OS   _O33    52     1.36685   122.66289   178.78147
   53    52 S   CT   _C7_    53     1.44652   116.95263    24.79281
   54    53 S   CM   _C6_    54     1.53161   113.13594   -34.83477
   55    53 S   CT   _C16    71     1.53967   107.01779    88.02891
   56    55 S   HC   _H12    72     1.09658   110.72797    49.08024
   57    55 S   HC   _H13    73     1.09632   111.32088   -68.87554
   58    55 S   HC   _H14    74     1.09459   112.14265   169.84611
   59    53 S   CT   _C17    75     1.54035   103.37873  -157.37515
   60    59 S   HC   _H15    76     1.09710   110.67338   -51.87546
   61    59 S   HC   _H16    77     1.09489   112.63163  -172.36462
   62    59 S   HC   _H17    78     1.09652   110.89415    65.52548
   63    54 S   CA   _C18    55     1.47846   117.54689  -158.47306
   64    48 S   CM   _C5_    66     1.47910   123.00595   178.47440
   65    63 S   CA   _C19    56     1.40282   120.38075   -86.93340
   66    65 S   HA   _H18    57     1.08740   120.63609     0.50241
   67    64 S   CT   _C4_    67     1.50780   117.86478   -10.13048
   68    67 S   HC   _H3_    68     1.09543   110.54600    65.53483
   69    67 S   HC   _H4_    69     1.09578   110.52014   -55.06438
   70    67 S   HC   _H5_    70     1.09307   113.66468  -174.49743
   71    65 S   CA   _C20    58     1.39493   120.26318  -179.22066
   72    71 S   HA   _H19    59     1.08546   120.32227  -179.84423
   73    71 S   CA   _C21    60     1.39098   119.51395     0.35277
   74    73 S   F    F1__    61     1.34019   119.46061   179.95154
   75    73 S   CA   _C22    62     1.39079   121.07588     0.17132
   76    75 S   HA   _H20    63     1.08540   120.19338   179.70129
   77    63 S   CA   _C23    64     1.40417   120.21767    94.73917
   78    77 S   HA   _H21    65     1.08761   120.50850    -0.81421
  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
   9   6   2   1   1   5   3   2   1   7   9   8   4   8   3  12
   9   4   1  12  14  20   9   3   2   1   5   2   1   1  11   6
   8   4   3   2   1   1   6   3   5   3   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    50  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    46    49    50    51  
   44    45    46    47    48    49    50    51    52  
   45    46    47    48    49    50    51    64  
   46    47    48    50  
   47    48    49    50    52    54    64    67  
   48    49    64  
   49    50    51    52    53    54    63    64    67    68    69    70  
   50    51    52    53    54    64    67    55    59  
   51    52    53    64  
   52  
   53    54    63    64    55    56    57    58    59    60    61    62  
   54    63    65    77    64    67    55    56    57    58    59    60    61    62  
   63    65    66    71    75    77    78    64    67    68    69    70    55    56    57    58    59    60    61    62  
   56    57    58    59    60    61    62    63    64  
   57    58    59  
   58    59  
   59  
   60    61    62    63    64  
   61    62  
   62  
    0  
   65    66    71    72    73    75    76    77    78    64    67  
   67    68    69    70    65    77  
   66    71    72    73    74    75    77    78  
   71    72    73    77  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76    77  
   73    74    75  
   74    75    76    77    78  
   75    76    77  
   76    77    78  
   77    78  
   78  
    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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   74   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    42   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   450.000  1.364
   43    44   469.000  1.400
   43    50   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   469.000  1.400
   48    64   320.000  1.460
   49    50   469.000  1.400
   49    52   450.000  1.364
   50    51   367.000  1.080
   52    53   320.000  1.410
   53    54   317.000  1.510
   53    55   268.000  1.529
   53    59   268.000  1.529
   54    63   320.000  1.460
   54    64   549.000  1.340
   63    65   469.000  1.400
   63    77   469.000  1.400
   65    66   367.000  1.080
   65    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   420.000  1.354
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   64    67   317.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
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    42    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    75.00000  111.00000
   38    33    34    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34   110.00000  112.65000
   42    33    38    50.00000  109.50000
   42    43    44    70.00000  120.00000
   42    43    50    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    46    63.00000  120.00000
   43    50    49    63.00000  120.00000
   43    50    51    35.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    63.00000  120.00000
   46    48    64    60.00000  120.93500
   48    46    47    35.00000  120.00000
   48    49    50    63.00000  120.00000
   48    49    52    70.00000  120.00000
   48    64    54    60.00000  123.20500
   48    64    67    65.00000  118.87000
   49    50    51    35.00000  120.00000
   49    52    53    75.00000  111.00000
   50    43    44    63.00000  120.00000
   52    49    50    70.00000  120.00000
   52    53    54    85.00000  110.90400
   52    53    55    50.00000  109.50000
   52    53    59    50.00000  109.50000
   53    54    63    60.00000  124.00000
   53    54    64    70.00000  124.00000
   53    55    56    37.50000  110.70000
   53    55    57    37.50000  110.70000
   53    55    58    37.50000  110.70000
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    59    62    37.50000  110.70000
   54    63    65    60.00000  118.70000
   54    63    77    60.00000  118.70000
   54    64    67    70.00000  124.00000
   63    65    66    35.00000  120.00000
   63    65    71    63.00000  120.00000
   63    77    75    63.00000  120.00000
   63    77    78    35.00000  120.00000
   65    71    72    35.00000  120.00000
   65    71    73    63.00000  120.00000
   71    65    66    35.00000  120.00000
   71    73    74    80.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    80.00000  120.00000
   75    77    78    35.00000  120.00000
   77    63    65    63.00000  120.00000
   77    75    76    35.00000  120.00000
   64    48    49    60.00000  120.93500
   64    54    63    60.00000  123.66000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   55    53    54    70.00000  112.02700
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    53    54    70.00000  112.02700
   59    53    55    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
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    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   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    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.14700  1.0 1.0
   29    33    42    43  -1.16150 -1.0 2.0
   29    33    42    43   0.48700  1.0 3.0
   33    42    43    44   1.63200 -1.0 2.0
   33    42    43    50   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43  -0.25600  1.0 1.0
   34    33    42    43  -0.40050 -1.0 2.0
   34    33    42    43   0.34700  1.0 3.0
   38    33    42    43  -0.32850  1.0 1.0
   38    33    42    43  -0.35800 -1.0 2.0
   38    33    42    43   0.33950  1.0 3.0
   42    33    38    39   0.23400  1.0 3.0
   42    33    38    40   0.23400  1.0 3.0
   42    33    38    41   0.23400  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    46   3.62500 -1.0 2.0
   42    43    50    49   3.62500 -1.0 2.0
   42    43    50    51   3.62500 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44    46    48   3.62500 -1.0 2.0
   44    43    50    49   3.62500 -1.0 2.0
   44    43    50    51   3.62500 -1.0 2.0
   44    46   -48    49   3.62500 -1.0 2.0
   44    46    48    64   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    49    50   3.62500 -1.0 2.0
   46    48    49    52   3.62500 -1.0 2.0
   46    48    64    54   0.15800  1.0 1.0
   46    48    64    54   1.85350 -1.0 2.0
   46    48    64    54  -0.48700  1.0 3.0
   46    48    64    67  -0.02500  1.0 1.0
   46    48    64    67  -0.32150 -1.0 2.0
   46    48    64    67  -0.01500  1.0 3.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    64   3.62500 -1.0 2.0
   48    49   -50    43   3.62500 -1.0 2.0
   48    49    50    51   3.62500 -1.0 2.0
   48    49    52    53   1.63200 -1.0 2.0
   48    64    67    68   0.77000  1.0 3.0
   48    64    67    69   0.77000  1.0 3.0
   48    64    67    70   0.77000  1.0 3.0
   49    48    64    54   0.15800  1.0 1.0
   49    48    64    54   1.85350 -1.0 2.0
   49    48    64    54  -0.48700  1.0 3.0
   49    48    64    67  -0.02500  1.0 1.0
   49    48    64    67  -0.32150 -1.0 2.0
   49    48    64    67  -0.01500  1.0 3.0
   49    52   -53    54  -0.25600  1.0 1.0
   49    52   -53    54  -0.40050 -1.0 2.0
   49    52   -53    54   0.34700  1.0 3.0
   49    52    53    55  -0.32850  1.0 1.0
   49    52    53    55  -0.35800 -1.0 2.0
   49    52    53    55   0.33950  1.0 3.0
   49    52    53    59  -0.32850  1.0 1.0
   49    52    53    59  -0.35800 -1.0 2.0
   49    52    53    59   0.33950  1.0 3.0
   50    43    44    45   3.62500 -1.0 2.0
   50    43   -44    46   3.62500 -1.0 2.0
   50    49    52    53   1.63200 -1.0 2.0
   52    49    50    43   3.62500 -1.0 2.0
   52    49    50    51   3.62500 -1.0 2.0
   52    53    54    63   0.09700  1.0 1.0
   52    53    54    63   0.15600 -1.0 2.0
   52    53    54    63  -0.50800  1.0 3.0
   52    53    54    64   0.39000  1.0 1.0
   52    53    54    64  -0.05800 -1.0 2.0
   52    53    54    64  -0.55150  1.0 3.0
   52    53    55    56   0.23400  1.0 3.0
   52    53    55    57   0.23400  1.0 3.0
   52    53    55    58   0.23400  1.0 3.0
   52    53    59    60   0.23400  1.0 3.0
   52    53    59    61   0.23400  1.0 3.0
   52    53    59    62   0.23400  1.0 3.0
   53    54    63    65  -0.02500  1.0 1.0
   53    54    63    65  -0.32150 -1.0 2.0
   53    54    63    65  -0.01500  1.0 3.0
   53    54    63    77  -0.02500  1.0 1.0
   53    54    63    77  -0.32150 -1.0 2.0
   53    54    63    77  -0.01500  1.0 3.0
   53    54   -64    48   7.00000 -1.0 2.0
   53    54    64    67   7.00000 -1.0 2.0
   54    53    55    56   0.15000  1.0 3.0
   54    53    55    57   0.15000  1.0 3.0
   54    53    55    58   0.15000  1.0 3.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    61   0.15000  1.0 3.0
   54    53    59    62   0.15000  1.0 3.0
   54    63    65    66   3.62500 -1.0 2.0
   54    63    65    71   3.62500 -1.0 2.0
   54    63    77    75   3.62500 -1.0 2.0
   54    63    77    78   3.62500 -1.0 2.0
   54    64    67    68   0.00000  1.0 1.0
   54    64    67    69   0.00000  1.0 1.0
   54    64    67    70   0.00000  1.0 1.0
   63    54    64    48   7.00000 -1.0 2.0
   63    54    64    67   7.00000 -1.0 2.0
   63    65    71    72   3.62500 -1.0 2.0
   63    65    71    73   3.62500 -1.0 2.0
   65    63    77    75   3.62500 -1.0 2.0
   65    63    77    78   3.62500 -1.0 2.0
   65    71    73    74   3.62500 -1.0 2.0
   65    71   -73    75   3.62500 -1.0 2.0
   66    65    71    72   3.62500 -1.0 2.0
   66    65    71    73   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75   -77    63   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   76    75    77    63   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   77    63    65    66   3.62500 -1.0 2.0
   77    63   -65    71   3.62500 -1.0 2.0
   64    48    49    50   3.62500 -1.0 2.0
   64    48   -49    52   3.62500 -1.0 2.0
   64    54    63    65   0.15800  1.0 1.0
   64    54    63    65   1.85350 -1.0 2.0
   64    54    63    65  -0.48700  1.0 3.0
   64    54    63    77   0.15800  1.0 1.0
   64    54    63    77   1.85350 -1.0 2.0
   64    54    63    77  -0.48700  1.0 3.0
   55    53    54    63  -0.01700  1.0 1.0
   55    53    54    63   0.06550 -1.0 2.0
   55    53    54    63  -0.91500  1.0 3.0
   55    53    54    64   0.09850  1.0 1.0
   55    53    54    64   0.15250 -1.0 2.0
   55    53    54    64  -0.50650  1.0 3.0
   55    53    59    60   0.15000  1.0 3.0
   55    53    59    61   0.15000  1.0 3.0
   55    53    59    62   0.15000  1.0 3.0
   59    53    54    63  -0.01700  1.0 1.0
   59    53    54    63   0.06550 -1.0 2.0
   59    53    54    63  -0.91500  1.0 3.0
   59    53    54    64   0.09850  1.0 1.0
   59    53    54    64   0.15250 -1.0 2.0
   59    53    54    64  -0.50650  1.0 3.0
   59    53    55    56   0.15000  1.0 3.0
   59    53    55    57   0.15000  1.0 3.0
   59    53    55    58   0.15000  1.0 3.0
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
   44    50    43    42   4.00000 -1.0 2.0
   46    45    44    43   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   49    64    48    46   4.00000 -1.0 2.0
   50    52    49    48   4.00000 -1.0 2.0
   49    51    50    43   1.10000 -1.0 2.0
   53    63    54    64   1.10000 -1.0 2.0
   65    77    63    54   4.00000 -1.0 2.0
   71    66    65    63   1.10000 -1.0 2.0
   73    72    71    65   1.10000 -1.0 2.0
   75    74    73    71   4.00000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   75    78    77    63   1.10000 -1.0 2.0
   48    67    64    54   1.10000 -1.0 2.0
END
