* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    140    223     411
    1     0 S   NP   _N1_     1    28.48779    97.86081   -21.34319
    2     1 S   H    _HN1     2     1.02780   102.06157  -120.77583
    3     1 S   H    _H1_     3     1.02952    69.24735   -15.57684
    4     1 S   H    _H2_     4     1.02837    42.57834   135.87760
    5     1 S   CT   _CA1     5     1.50129   143.11951    81.17895
    6     5 S   HC   _HA1     6     1.09581   105.22339    95.62365
    7     5 S   CO3  _C1_     7     1.53814   112.09690   -24.48778
    8     7 S   O2Z  _O11     8     1.26357   115.04944   -50.58090
    9     7 S   O2Z  _O12     9     1.26218   114.91449   128.24703
   10     5 S   CT   _CB1    10     1.53085   107.37281  -146.64035
   11    10 S   HC   HB11    11     1.09828   109.42804   -50.90408
   12    10 S   HC   HB12    12     1.09811   110.45494    65.67961
   13    10 S   CT   _CG1    13     1.52975   112.54512  -171.91682
   14    13 S   HC   HG11    14     1.09519   110.36939   -63.21896
   15    13 S   HC   HG12    15     1.09647   109.96733    55.95480
   16    13 S   C    _CD1    16     1.51807   112.26588   176.58683
   17    16 S   O    _OE1    17     1.22772   123.26728     2.57800
   18    16 S   N    _N2_    18     1.38492   111.80031  -177.63669
   19    18 S   H    _HN2    19     1.01740   119.10506     3.43410
   20    18 S   CT1  _CA2    20     1.45850   122.83589   179.40127
   21    20 S   HC   _HA2    21     1.09738   108.74541    28.10361
   22    20 S   C    _C2_    22     1.52955   107.33885   -89.04189
   23    22 S   O    _O2_    23     1.22970   123.16087   -25.80895
   24    20 S   CT   _CB2    32     1.53176   112.06122   151.14870
   25    24 S   HC   HB21    33     1.09345   109.55707    56.97428
   26    24 S   HC   HB22    34     1.09481   110.23157   175.01092
   27    22 S   N    _N3_    24     1.38534   112.50611   156.82640
   28    27 S   H    _HN3    25     1.01657   120.33593    -2.06734
   29    24 S   S    _SG2    35     1.82782   110.89320   -65.48418
   30    27 S   CT   _CA3    26     1.45338   122.46471   178.51998
   31    30 S   HC   HA31    27     1.09569   107.75672   -56.44556
   32    30 S   HC   HA32    28     1.09562   107.65347    59.87461
   33    29 S   CT   _C14    36     1.86455   100.96727   157.02614
   34    33 S   OM   _O34    37     1.32214   109.32310   168.27832
   35    30 S   CO3  _C3_    29     1.52881   114.35535  -178.36554
   36    35 S   O2Z  _O31    30     1.26329   116.08650    -1.64544
   37    35 S   O2Z  _O32    31     1.26443   114.39941   178.36338
   38    33 S   CT   _C6_    38     1.58740   108.25862   -74.61159
   39    38 S   HC   _H3_    39     1.09704   107.53153    62.29436
   40    33 S   OS   _O35    62     1.44980   113.09601    41.08259
   41    38 S   CT   _C7_    40     1.55630   113.47277   178.73205
   42    41 S   HC   _H8_    41     1.09781   110.49226    70.50601
   43    41 S   HC   _H9_    42     1.09714   110.64567   -46.53994
   44    38 S   N    _N4_    54     1.47194   112.71523   -55.93376
   45    44 S   H    _H7_    55     1.01502   116.42914   -56.34957
   46    40 S   CA   _C15    63     1.36662   125.00920    62.14075
   47    41 S   CA   _C8_    43     1.51288   112.95336  -167.18824
   48    44 S   C    _C5_    56     1.38185   123.78329   122.49412
   49    48 S   O    _O33    57     1.22850   125.61339    -2.35035
   50    46 S   CA   _C16    64     1.39771   114.03159  -174.25062
   51    50 S   HA   _H15    65     1.08769   119.98866    -0.13270
   52    46 S   CA   _C24    78     1.39546   127.05317     5.76521
   53    52 S   HA   _H21    79     1.08558   120.93684     0.54572
   54    47 S   CA   _C9_    44     1.40141   120.59732  -100.38074
   55    54 S   HA   _H10    45     1.08709   120.36303    -0.60296
   56    48 S   CT   _C4_    58     1.50453   112.56311   179.23051
   57    56 S   HC   _H4_    59     1.09315   109.28344    84.28530
   58    56 S   HC   _H5_    60     1.09325   109.40262  -155.81993
   59    56 S   HC   _H6_    61     1.09378   110.90755   -36.35084
   60    50 S   CA   _C17    66     1.39574   120.89531   179.59506
   61    60 S   HA   _H16    67     1.08773   118.83013  -179.78878
   62    54 S   CA   _C10    46     1.39562   120.41699   179.01583
   63    62 S   HA   _H11    47     1.08618   119.92920  -179.86294
   64    60 S   CA   _C18    68     1.40085   120.51925     0.14127
   65    62 S   CA   _C11    48     1.39373   120.07743    -0.02798
   66    65 S   HA   _H12    49     1.08608   120.01907  -179.89165
   67    64 S   CA   _C19    69     1.40463   121.45736  -179.92598
   68    67 S   HA   _H17    70     1.08792   120.51234     0.07662
   69    65 S   CA   _C12    50     1.39368   119.96316    -0.03426
   70    69 S   HA   _H13    51     1.08616   120.00647  -179.80517
   71    67 S   CA   _C20    71     1.39497   120.65941  -179.93744
   72    71 S   HA   _H18    72     1.08618   119.97702  -179.97202
   73    47 S   CA   _C13    52     1.40176   120.34474    78.49374
   74    73 S   HA   _H14    53     1.08721   120.26241     0.69492
   75    71 S   CA   _C21    73     1.39143   119.98606     0.01978
   76    75 S   HA   _H19    74     1.08621   120.04254  -180.00000
   77    75 S   CA   _C22    75     1.39545   120.01622    -0.01978
   78    77 S   HA   _H20    76     1.08816   118.76525  -179.96044
   79    64 S   CA   _C23    77     1.41333   119.09039     0.11364
  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
  14   6   2   1   1  14   8   9  12   5   4   8   3   9   9   5
   4   8   4   8   3   8   4   3   2   1   1   7   3   6   3   8
   5   3   7   4   3   2   6   3   1   1   4   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    44    40    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    47    44    45    48    40    46    50    52  
   38    39    41    44    40    46  
   36    37  
   37  
    0  
   39    41    42    43    47    54    73    44    45    48    49    56    40    46  
   41    42    43    47    44    45    48    40  
   46    50    51    60    79    52    53    41    44  
   42    43    47    54    55    62    69    73    74    44    45    48  
   43    47    54    73    44  
   47    54    73    44  
   45    48    49    56    57    58    59    47  
   48    49    56  
   50    51    60    61    64    77    79    52    53  
   54    55    62    63    65    69    70    73    74  
   49    56    57    58    59  
   56    57    58    59  
   51    60    61    64    67    79    52    53  
   60    61    64    52  
   53    60    64    67    75    77    78    79  
   64    77    79  
   55    62    63    65    66    69    73    74  
   62    63    65    73  
   57    58    59  
   58    59  
   59  
    0  
   61    64    67    68    71    77    79  
   64    67    79  
   63    65    66    69    70    73  
   65    66    69  
   67    68    71    72    75    77    78    79  
   66    69    70    73    74  
   69    70    73  
   68    71    72    75    76    77    79  
   71    72    75    79  
   70    73    74  
   73    74  
   72    75    76    77    78    79  
   75    76    77  
   74  
    0  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   45   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   46   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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
   79   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
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   268.000  1.529
   38    44   337.000  1.449
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    47   317.000  1.510
   47    54   469.000  1.400
   47    73   469.000  1.400
   54    55   367.000  1.080
   54    62   469.000  1.400
   62    63   367.000  1.080
   62    65   469.000  1.400
   65    66   367.000  1.080
   65    69   469.000  1.400
   69    70   367.000  1.080
   69    73   469.000  1.400
   73    74   367.000  1.080
   44    45   434.000  1.010
   44    48   490.000  1.335
   48    49   570.000  1.229
   48    56   317.000  1.522
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   40    46   450.000  1.364
   46    50   469.000  1.400
   46    52   469.000  1.400
   50    51   367.000  1.080
   50    60   469.000  1.400
   60    61   367.000  1.080
   60    64   469.000  1.400
   64    67   469.000  1.400
   64    79   469.000  1.400
   67    68   367.000  1.080
   67    71   469.000  1.400
   71    72   367.000  1.080
   71    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    52   469.000  1.400
   52    53   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    58.35000  112.70000
   33    38    44    70.00000  110.72300
   33    40    46    75.00000  111.00000
   38    33    34    50.00000  109.50000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    47    70.00000  112.17500
   38    44    45    38.00000  118.40000
   38    44    48    50.00000  121.90000
   41    38    39    37.50000  110.70000
   41    47    54    70.00000  120.00000
   41    47    73    70.00000  120.00000
   43    41    42    33.00000  107.80000
   47    41    42    35.00000  109.50000
   47    41    43    35.00000  109.50000
   47    54    55    35.00000  120.00000
   47    54    62    63.00000  120.00000
   47    73    69    63.00000  120.00000
   47    73    74    35.00000  120.00000
   54    62    63    35.00000  120.00000
   54    62    65    63.00000  120.00000
   62    54    55    35.00000  120.00000
   62    65    66    35.00000  120.00000
   62    65    69    63.00000  120.00000
   65    62    63    35.00000  120.00000
   65    69    70    35.00000  120.00000
   65    69    73    63.00000  120.00000
   69    65    66    35.00000  120.00000
   69    73    74    35.00000  120.00000
   73    47    54    63.00000  120.00000
   73    69    70    35.00000  120.00000
   44    38    39    35.00000  109.50000
   44    38    41    70.00000  110.72300
   44    48    49    80.00000  122.90000
   44    48    56    70.00000  116.60000
   48    44    45    35.00000  119.80000
   48    56    57    35.00000  109.50000
   48    56    58    35.00000  109.50000
   48    56    59    35.00000  109.50000
   56    48    49    80.00000  120.40000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   40    33    34   110.00000  112.65000
   40    33    38    50.00000  109.50000
   40    46    50    70.00000  120.00000
   40    46    52    70.00000  120.00000
   46    50    51    35.00000  120.00000
   46    50    60    63.00000  120.00000
   46    52    79    63.00000  120.00000
   46    52    53    35.00000  120.00000
   50    60    61    35.00000  120.00000
   50    60    64    63.00000  120.00000
   60    50    51    35.00000  120.00000
   60    64    67    63.00000  120.00000
   60    64    79    63.00000  120.00000
   64    60    61    35.00000  120.00000
   64    67    68    35.00000  120.00000
   64    67    71    63.00000  120.00000
   64    79    77    63.00000  120.00000
   64    79    52    63.00000  120.00000
   67    71    72    35.00000  120.00000
   67    71    75    63.00000  120.00000
   71    67    68    35.00000  120.00000
   71    75    76    35.00000  120.00000
   71    75    77    63.00000  120.00000
   75    71    72    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    52    63.00000  120.00000
   79    64    67    63.00000  120.00000
   79    77    78    35.00000  120.00000
   79    52    53    35.00000  120.00000
   52    46    50    63.00000  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   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    40    46   0.14700  1.0 1.0
   29    33    40    46  -1.16150 -1.0 2.0
   29    33    40    46   0.48700  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    47  -0.03700  1.0 1.0
   33    38    41    47   0.37200 -1.0 2.0
   33    38    41    47  -0.47300  1.0 3.0
   33    38    44    45   0.00000  1.0 1.0
   33    38    44    48  -0.43950  1.0 1.0
   33    38    44    48  -0.08100 -1.0 2.0
   33    38    44    48   0.03350  1.0 3.0
   33    40    46    50   1.63200 -1.0 2.0
   33    40    46    52   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    41   0.62750  1.0 1.0
   34    33    38    41  -0.30950 -1.0 2.0
   34    33    38    41   0.27300  1.0 3.0
   34    33    38    44   1.12100  1.0 1.0
   34    33    38    44  -0.16500 -1.0 2.0
   34    33    40    46  -0.25600  1.0 1.0
   34    33    40    46  -0.40050 -1.0 2.0
   34    33    40    46   0.34700  1.0 3.0
   38    33    40    46  -0.32850  1.0 1.0
   38    33    40    46  -0.35800 -1.0 2.0
   38    33    40    46   0.33950  1.0 3.0
   38    41    47    54   0.04150 -1.0 2.0
   38    41    47    73   0.04150 -1.0 2.0
   38    44    48    49   3.04450 -1.0 2.0
   38    44    48    56   1.49850  1.0 1.0
   38    44    48    56   1.53950 -1.0 2.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    47   0.43200  1.0 3.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    48   0.00000  1.0 1.0
   41    38    44    45   0.00000  1.0 1.0
   41    38    44    48  -0.43950  1.0 1.0
   41    38    44    48  -0.08100 -1.0 2.0
   41    38    44    48   0.03350  1.0 3.0
   41    47    54    55   3.62500 -1.0 2.0
   41    47    54    62   3.62500 -1.0 2.0
   41    47    73    69   3.62500 -1.0 2.0
   41    47    73    74   3.62500 -1.0 2.0
   42    41    47    54   0.00000  1.0 1.0
   42    41    47    73   0.00000  1.0 1.0
   43    41    47    54   0.00000  1.0 1.0
   43    41    47    73   0.00000  1.0 1.0
   47    54    62    63   3.62500 -1.0 2.0
   47    54    62    65   3.62500 -1.0 2.0
   54    47    73    69   3.62500 -1.0 2.0
   54    47    73    74   3.62500 -1.0 2.0
   54    62    65    66   3.62500 -1.0 2.0
   54    62   -65    69   3.62500 -1.0 2.0
   55    54    62    63   3.62500 -1.0 2.0
   55    54    62    65   3.62500 -1.0 2.0
   62    65    69    70   3.62500 -1.0 2.0
   62    65    69    73   3.62500 -1.0 2.0
   63    62    65    66   3.62500 -1.0 2.0
   63    62    65    69   3.62500 -1.0 2.0
   65    69   -73    47   3.62500 -1.0 2.0
   65    69    73    74   3.62500 -1.0 2.0
   66    65    69    70   3.62500 -1.0 2.0
   66    65    69    73   3.62500 -1.0 2.0
   70    69    73    47   3.62500 -1.0 2.0
   70    69    73    74   3.62500 -1.0 2.0
   73    47    54    55   3.62500 -1.0 2.0
   73    47   -54    62   3.62500 -1.0 2.0
   44    38    41    42   0.15000  1.0 3.0
   44    38    41    43   0.15000  1.0 3.0
   44    38    41    47   0.08550  1.0 1.0
   44    38    41    47   1.07500 -1.0 2.0
   44    38    41    47  -0.10950  1.0 3.0
   44    48    56    57   0.00000  1.0 1.0
   44    48    56    58   0.00000  1.0 1.0
   44    48    56    59   0.00000  1.0 1.0
   45    44    48    49   2.45000 -1.0 2.0
   45    44    48    56   2.45000 -1.0 2.0
   49    48    56    57   0.00000  1.0 1.0
   49    48    56    58   0.00000  1.0 1.0
   49    48    56    59   0.00000  1.0 1.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    41   0.62750  1.0 1.0
   40    33    38    41  -0.30950 -1.0 2.0
   40    33    38    41   0.27300  1.0 3.0
   40    33    38    44   1.12100  1.0 1.0
   40    33    38    44  -0.16500 -1.0 2.0
   40    46    50    51   3.62500 -1.0 2.0
   40    46    50    60   3.62500 -1.0 2.0
   40    46    52    79   3.62500 -1.0 2.0
   40    46    52    53   3.62500 -1.0 2.0
   46    50    60    61   3.62500 -1.0 2.0
   46    50    60    64   3.62500 -1.0 2.0
   50    46    52    79   3.62500 -1.0 2.0
   50    46    52    53   3.62500 -1.0 2.0
   50    60    64    67   3.62500 -1.0 2.0
   50    60   -64    79   3.62500 -1.0 2.0
   51    50    60    61   3.62500 -1.0 2.0
   51    50    60    64   3.62500 -1.0 2.0
   60    64    67    68   3.62500 -1.0 2.0
   60    64    67    71   3.62500 -1.0 2.0
   60    64    79    77   3.62500 -1.0 2.0
   60    64    79    52   3.62500 -1.0 2.0
   61    60    64    67   3.62500 -1.0 2.0
   61    60    64    79   3.62500 -1.0 2.0
   64    67    71    72   3.62500 -1.0 2.0
   64    67    71    75   3.62500 -1.0 2.0
   64    79   -52    46   3.62500 -1.0 2.0
   64    79    52    53   3.62500 -1.0 2.0
   67    64    79    77   3.62500 -1.0 2.0
   67    64    79    52   3.62500 -1.0 2.0
   67    71    75    76   3.62500 -1.0 2.0
   67    71   -75    77   3.62500 -1.0 2.0
   68    67    71    72   3.62500 -1.0 2.0
   68    67    71    75   3.62500 -1.0 2.0
   71    75    77    78   3.62500 -1.0 2.0
   71    75    77    79   3.62500 -1.0 2.0
   72    71    75    76   3.62500 -1.0 2.0
   72    71    75    77   3.62500 -1.0 2.0
   75    77   -79    64   3.62500 -1.0 2.0
   75    77    79    52   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   77    79    52    46   3.62500 -1.0 2.0
   77    79    52    53   3.62500 -1.0 2.0
   78    77    79    64   3.62500 -1.0 2.0
   78    77    79    52   3.62500 -1.0 2.0
   79    64    67    68   3.62500 -1.0 2.0
   79    64   -67    71   3.62500 -1.0 2.0
   52    46    50    51   3.62500 -1.0 2.0
   52    46   -50    60   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
   54    73    47    41   4.00000 -1.0 2.0
   62    55    54    47   1.10000 -1.0 2.0
   65    63    62    54   1.10000 -1.0 2.0
   69    66    65    62   1.10000 -1.0 2.0
   73    70    69    65   1.10000 -1.0 2.0
   69    74    73    47   1.10000 -1.0 2.0
   45    48    44    38   1.00000 -1.0 2.0
   44    56    48    49  10.50000 -1.0 2.0
   50    52    46    40   4.00000 -1.0 2.0
   60    51    50    46   1.10000 -1.0 2.0
   64    61    60    50   1.10000 -1.0 2.0
   67    79    64    60   4.00000 -1.0 2.0
   71    68    67    64   1.10000 -1.0 2.0
   75    72    71    67   1.10000 -1.0 2.0
   77    76    75    71   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   77    52    79    64   4.00000 -1.0 2.0
   79    53    52    46   1.10000 -1.0 2.0
END
