* LIGAND DATABASE FILE (OPLS2005)
*
001     102   104    182    279     531
    1     0 S   NP   _N1_     1    29.44099    97.77583   -18.15804
    2     1 S   H    _HN1     2     1.02962    89.58016    44.36780
    3     1 S   H    _H1_     3     1.02840    57.68113   154.96922
    4     1 S   H    _H2_     4     1.02783    62.03029   -66.68480
    5     1 S   CT   _CA1     5     1.50059   159.67610  -145.05274
    6     5 S   HC   _HA1     6     1.09582   105.27851     7.65245
    7     5 S   CO3  _C1_     7     1.53685   112.40617  -112.56974
    8     7 S   O2Z  _O11     8     1.26336   115.05283   -47.10200
    9     7 S   O2Z  _O12     9     1.26239   114.88256   132.38912
   10     5 S   CT   _CB1    10     1.53086   107.47040   125.44649
   11    10 S   HC   HB11    11     1.09817   109.17411   -52.96969
   12    10 S   HC   HB12    12     1.09824   110.49589    63.51543
   13    10 S   CT   _CG1    13     1.53000   112.67478  -174.21748
   14    13 S   HC   HG11    14     1.09592   110.31617   -64.30710
   15    13 S   HC   HG12    15     1.09644   110.11132    54.89414
   16    13 S   C    _CD1    16     1.51771   112.30516   175.08526
   17    16 S   O    _OE1    17     1.22720   123.24287    -7.77095
   18    16 S   N    _N2_    18     1.38603   111.63889   172.87316
   19    18 S   H    _HN2    19     1.01590   119.03185     0.46394
   20    18 S   CT1  _CA2    20     1.46196   123.37390   179.97202
   21    20 S   HC   _HA2    21     1.09738   109.38553   -13.34042
   22    20 S   C    _C2_    22     1.53449   108.15321  -128.91708
   23    22 S   O    _O2_    23     1.23007   122.29718  -145.08732
   24    20 S   CT   _CB2    32     1.53495   111.50986   108.87292
   25    24 S   HC   HB21    33     1.09369   109.40258    55.04705
   26    24 S   HC   HB22    34     1.09475   109.85488   173.55472
   27    22 S   N    _N3_    24     1.38525   113.33253    42.23599
   28    27 S   H    _HN3    25     1.01524   118.93391    -0.46562
   29    24 S   S    _SG2    35     1.83168   111.46949   -67.04169
   30    27 S   CT   _CA3    26     1.45450   123.40923   175.10167
   31    30 S   HC   HA31    27     1.09526   109.19372    25.22857
   32    30 S   HC   HA32    28     1.09494   107.13034   142.23001
   33    29 S   CT   _C9_    36     1.85252   101.72696   169.32244
   34    30 S   CO3  _C3_    29     1.52931   113.15016   -98.21603
   35    34 S   O2Z  _O31    30     1.26401   115.42374   -43.92592
   36    34 S   O2Z  _O32    31     1.26358   114.96905   137.01099
   37    33 S   CT   _C10    37     1.55578   111.60984   -72.38850
   38    37 S   HC   _H3_    38     1.09712   107.10471    53.04870
   39    33 S   CT   _C29    99     1.54104   106.00290   162.44550
   40    39 S   HC   _H24   100     1.09798   111.23795   -65.71580
   41    39 S   HC   _H25   101     1.09576   111.57240   175.86459
   42    39 S   HC   _H26   102     1.09475   112.87006    54.74351
   43    37 S   CT   _C11    39     1.56795   112.74742   170.78424
   44    43 S   HC   _H4_    40     1.09553   107.62925    77.62883
   45    37 S   CO4  _C19    73     1.52448   112.46945   -63.98610
   46    45 S   O    _O35    74     1.22335   124.65542   -59.96702
   47    43 S   CA   _C12    41     1.54005   110.61835  -163.21119
   48    43 S   CM   _C7_    55     1.53055   111.83040   -38.56652
   49    45 S   OS   _O36    75     1.36489   109.88078   120.49328
   50    47 S   CA   _C13    42     1.41343   118.52044    64.21271
   51    50 S   HA   _H11    43     1.08837   120.40542    -1.22717
   52    48 S   CM   _C8_    56     1.35042   122.73700    11.18967
   53    48 S   CO4  _C6_    63     1.48061   117.91219  -168.45332
   54    53 S   O    _O34    64     1.22099   124.23924   110.18461
   55    49 S   CT   _C20    76     1.43869   115.79423  -179.32681
   56    55 S   HC   _H15    77     1.09595   110.77156   -39.73819
   57    55 S   HC   _H16    78     1.09519   107.70397    79.74376
   58    50 S   CA   _C14    44     1.39325   121.60574   177.45701
   59    58 S   HA   _H12    45     1.08600   120.07013  -179.48036
   60    33 S   NE   _N4_    57     1.45634   109.27791    47.31791
   61    60 S   H    _H10    58     1.01561   117.22813    35.74757
   62    52 S   CT   _C30    59     1.50756   124.89018  -178.72221
   63    62 S   HC   _H27    60     1.09524   109.91438   114.17977
   64    62 S   HC   _H28    61     1.09269   113.87043    -6.90027
   65    62 S   HC   _H29    62     1.09592   110.11157  -126.72230
   66    53 S   OS   _O33    65     1.35721   108.22889   -70.03640
   67    55 S   CT   _C21    79     1.52277   108.73091  -161.56546
   68    67 S   HC   _H17    80     1.09443   109.92147  -169.41059
   69    67 S   HC   _H18    81     1.09460   110.92291   -48.55547
   70    58 S   CA   _C15    46     1.38637   119.71726    -0.37639
   71    70 S   HA   _H13    47     1.08580   120.09212  -179.04100
   72    66 S   CT   _C5_    66     1.43448   115.16684   179.69099
   73    72 S   HC   _H8_    67     1.09552   109.34801   -62.79609
   74    72 S   HC   _H9_    68     1.09563   109.66916    57.46771
   75    67 S   N    _N5_    82     1.45407   111.79730    70.54153
   76    75 S   H    _H19    83     1.01449   117.42196   -96.26808
   77    70 S   CA   _C16    48     1.39353   119.81784     0.69323
   78    77 S   HA   _H14    49     1.08788   118.18507  -179.87805
   79    72 S   CT   _C4_    69     1.51558   108.31534   177.35618
   80    79 S   HC   _H5_    70     1.09501   110.59931   -58.93859
   81    79 S   HC   _H6_    71     1.09481   110.68109    59.32807
   82    79 S   HC   _H7_    72     1.09354   110.89413  -179.81337
   83    75 S   C    _C22    84     1.38485   122.11518    81.43868
   84    83 S   O    _O37    85     1.22744   124.97915    -3.03860
   85    47 S   CA   _C17    50     1.41455   123.04207  -118.04915
   86    83 S   CA   _C23    86     1.48200   115.73610   178.09895
   87    85 S   CT   _C18    51     1.50823   123.03981     2.70023
   88    87 S   F    F1__    52     1.36421   113.75161  -180.00000
   89    87 S   F    F2__    53     1.36054   112.93161   -60.11481
   90    87 S   F    F3__    54     1.36008   112.72348    60.32466
   91    86 S   CA   _C24    87     1.39849   121.56625   -35.26734
   92    91 S   HA   _H20    88     1.08637   121.47343    -0.59248
   93    91 S   CA   _C25    89     1.39691   119.84742  -179.45249
   94    93 S   HA   _H21    90     1.08743   119.32205   179.79826
   95    93 S   CA   _C26    91     1.40036   120.58963    -0.33220
   96    95 S   CA   _C27    92     1.39987   119.17670     1.76148
   97    96 S   HA   _H22    93     1.08730   120.16961   178.71595
   98    95 S   NZA  _N6_    96     1.40492   120.40650   179.87180
   99    86 S   CA   _C28    94     1.39903   118.52649   146.57880
  100    99 S   HA   _H23    95     1.08724   120.92484    -0.93983
  101    98 S   NZC  _N7_    97     1.24761   112.26044    90.54002
  102   101 S   NZT  _N8_    98     1.14121   179.54587  -177.00076
  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  12   5   4   3
  17   2   1   1  19   9   8   3   2   1  18   7   9   2  15  13
   7   8   4   9   8   2   8   5   4   6   3   5   1   3   2   1
   1   7   7   4   3   5   3   6   5   4   6   3   6   2   3   2
   1   1   8   3   4   9   3   2   1   1   8   4   7   3   7   5
   3   3   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    60    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    52    60    61    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    48    52    60    61    62    45    46    49    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    47    50    85    48    52    60    61    53    45    46    49    55    39    40    41    42  
   43    44    47    48    60    45    46    49    39  
   40    41    42    43    45    52    60    61  
   41    42    60  
   42    60  
   60  
   44    47    50    51    58    77    85    87    48    52    60    62    53    54    66    45    46    49  
   47    50    85    48    52    53    45  
   46    49    55    56    57    67    47    48    60  
   49    55  
   50    51    58    59    70    77    78    85    87    88    89    90    48    52    53  
   52    60    61    62    63    64    65    53    54    66    72    50    85  
   55    56    57    67    68    69    75  
   51    58    59    70    71    77    85    87  
   58    59    70    85  
   60    61    62    63    64    65    53    54    66  
   54    66    72    73    74    79    60    62  
   66    72  
   56    57    67    68    69    75    76    83  
   57    67    68    69    75  
   67    68    69    75  
   59    70    71    77    78    85  
   70    71    77  
   61    62    63    64    65  
   62  
   63    64    65  
   64    65  
   65  
    0  
   72    73    74    79    80    81    82  
   68    69    75    76    83    84    86  
   69    75    76    83  
   75    76    83  
   71    77    78    85    87  
   77    78    85  
   73    74    79    80    81    82  
   74    79    80    81    82  
   79    80    81    82  
   76    83    84    86    91    99  
   83    84    86  
   78    85    87    88    89    90  
   85    87  
   80    81    82  
   81    82  
   82  
    0  
   84    86    91    92    93    96    99   100  
   86    91    99  
   87    88    89    90  
   91    92    93    94    95    96    97    99   100  
   88    89    90  
   89    90  
   90  
    0  
   92    93    94    95    96    99   100    98  
   93    94    95    99  
   94    95    96    97    99    98   101  
   95    96    98  
   96    97    99   100    98   101   102  
   97    99   100    98   101  
   99   100    98  
  101   102    99  
  100  
    0  
  102  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.402800   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   61   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   67   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   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   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   76   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.7500   0.1050   0.615000   1.9250   1.7000   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   85   3.5500   0.0700   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   86   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   87   3.2500   0.0620   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   89   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   90   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   91   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   93   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   94   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   95   3.5500   0.0700   0.150400   2.0020   1.7750   0.001000000  -0.843144165
   96   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   97   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   98   3.1800   0.2500  -0.450200   1.7990   1.5900   0.005000000   0.000000000
   99   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  100   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  101   3.1800   0.2500   0.609100   2.2900   2.0360   0.003973653   1.685851020
  102   3.1800   0.2500  -0.309300   1.7990   1.5900   0.005000000   0.000000000
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    60   382.000  1.448
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    45   317.000  1.522
   43    44   340.000  1.090
   43    47   317.000  1.510
   43    48   317.000  1.510
   47    50   469.000  1.400
   47    85   469.000  1.400
   50    51   367.000  1.080
   50    58   469.000  1.400
   58    59   367.000  1.080
   58    70   469.000  1.400
   70    71   367.000  1.080
   70    77   469.000  1.400
   77    78   367.000  1.080
   77    85   469.000  1.400
   85    87   317.000  1.510
   87    88   367.000  1.332
   87    89   367.000  1.332
   87    90   367.000  1.332
   48    52   549.000  1.340
   48    53   320.000  1.462
   52    60   425.000  1.378
   52    62   317.000  1.510
   60    61   434.000  1.010
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   53    54   570.000  1.229
   53    66   214.000  1.327
   66    72   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   45    46   570.000  1.229
   45    49   214.000  1.327
   49    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    75   337.000  1.449
   75    76   434.000  1.010
   75    83   490.000  1.335
   83    84   570.000  1.229
   83    86   400.000  1.490
   86    91   469.000  1.400
   86    99   469.000  1.400
   91    92   367.000  1.080
   91    93   469.000  1.400
   93    94   367.000  1.080
   93    95   469.000  1.400
   95    96   469.000  1.400
   95    98   400.000  1.393
   96    97   367.000  1.080
   96    99   469.000  1.400
   99   100   367.000  1.080
   98   101   555.000  1.236
  101   102   920.000  1.138
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    60    80.00000  108.62000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    45    63.00000  111.10000
   33    60    52    50.00000  121.00000
   33    60    61    35.00000  112.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    47    70.00000  112.17500
   37    43    48    70.00000  112.02700
   37    45    46    80.00000  120.40000
   37    45    49    81.00000  111.40000
   43    37    38    37.50000  110.70000
   43    47    50    70.00000  120.00000
   43    47    85    70.00000  120.00000
   43    48    52    70.00000  124.00000
   43    48    53    65.00000  116.34900
   47    43    44    35.00000  109.50000
   47    50    51    35.00000  120.00000
   47    50    58    63.00000  120.00000
   47    85    77    63.00000  120.00000
   47    85    87    70.00000  120.00000
   50    58    59    35.00000  120.00000
   50    58    70    63.00000  120.00000
   58    50    51    35.00000  120.00000
   58    70    71    35.00000  120.00000
   58    70    77    63.00000  120.00000
   70    58    59    35.00000  120.00000
   70    77    78    35.00000  120.00000
   70    77    85    63.00000  120.00000
   77    70    71    35.00000  120.00000
   77    85    87    70.00000  120.00000
   85    47    50    63.00000  120.00000
   85    77    78    35.00000  120.00000
   85    87    88    50.00000  109.50000
   85    87    89    50.00000  109.50000
   85    87    90    50.00000  109.50000
   89    87    88    77.00000  109.10000
   90    87    88    77.00000  109.10000
   90    87    89    77.00000  109.10000
   48    43    44    35.00000  109.50000
   48    43    47    70.00000  112.99600
   48    52    60    70.00000  124.03900
   48    52    62    70.00000  124.00000
   48    53    54    80.00000  123.72100
   48    53    66    90.00000  111.29400
   52    60    61    35.00000  114.50000
   52    62    63    35.00000  109.50000
   52    62    64    35.00000  109.50000
   52    62    65    35.00000  109.50000
   60    33    37    80.00000  111.61500
   62    52    60    75.00000  116.24600
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   53    48    52    65.00000  118.96000
   53    66    72    83.00000  116.90000
   66    53    54    83.00000  123.40000
   66    72    73    35.00000  109.50000
   66    72    74    35.00000  109.50000
   66    72    79    50.00000  109.50000
   72    79    80    37.50000  110.70000
   72    79    81    37.50000  110.70000
   72    79    82    37.50000  110.70000
   74    72    73    33.00000  107.80000
   79    72    73    37.50000  110.70000
   79    72    74    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   45    37    38    35.00000  109.50000
   45    37    43    63.00000  111.10000
   45    49    55    83.00000  116.90000
   49    45    46    83.00000  123.40000
   49    55    56    35.00000  109.50000
   49    55    57    35.00000  109.50000
   49    55    67    50.00000  109.50000
   55    67    68    37.50000  110.70000
   55    67    69    37.50000  110.70000
   55    67    75    70.00000  110.72300
   57    55    56    33.00000  107.80000
   67    55    56    37.50000  110.70000
   67    55    57    37.50000  110.70000
   67    75    76    38.00000  118.40000
   67    75    83    50.00000  121.90000
   69    67    68    33.00000  107.80000
   75    67    68    35.00000  109.50000
   75    67    69    35.00000  109.50000
   75    83    84    80.00000  122.90000
   75    83    86    75.00000  113.92100
   83    75    76    35.00000  119.80000
   83    86    91    85.00000  120.00000
   83    86    99    85.00000  120.00000
   86    83    84    80.00000  120.40000
   86    91    92    35.00000  120.00000
   86    91    93    63.00000  120.00000
   86    99    96    63.00000  120.00000
   86    99   100    35.00000  120.00000
   91    93    94    35.00000  120.00000
   91    93    95    63.00000  120.00000
   93    91    92    35.00000  120.00000
   93    95    96    63.00000  120.00000
   93    95    98    70.00000  121.00300
   95    93    94    35.00000  120.00000
   95    96    97    35.00000  120.00000
   95    96    99    63.00000  120.00000
   95    98   101    95.00000  110.16200
   96    99   100    35.00000  120.00000
   99    86    91    63.00000  120.00000
   99    96    97    35.00000  120.00000
   98    95    96    70.00000  121.00300
   98   101   102    50.00000  173.69900
   39    33    37    58.35000  112.70000
   39    33    60    80.00000  111.61500
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    45   0.56750  1.0 1.0
   29    33    37    45  -0.07550 -1.0 2.0
   29    33    37    45   0.20000  1.0 3.0
   29    33    60    52  -0.12500  1.0 1.0
   29    33    60    52  -0.12500 -1.0 2.0
   29    33    60    52   0.25000  1.0 3.0
   29    33    60    61  -0.12500  1.0 1.0
   29    33    60    61  -0.12500 -1.0 2.0
   29    33    60    61   0.25000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    47  -0.03700  1.0 1.0
   33    37    43    47   0.37200 -1.0 2.0
   33    37    43    47  -0.47300  1.0 3.0
   33    37    43    48   0.34400  1.0 1.0
   33    37    43    48   0.09450 -1.0 2.0
   33    37    43    48   0.11100  1.0 3.0
   33    37    45    46   0.30150 -1.0 2.0
   33    37    45    49   0.36750  1.0 3.0
   37    33    60    52   0.25450  1.0 1.0
   37    33    60    52  -0.61700 -1.0 2.0
   37    33    60    52  -0.23550  1.0 3.0
   37    33    60    61   0.00000  1.0 1.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    47    50   0.04150 -1.0 2.0
   37    43    47    85   0.04150 -1.0 2.0
   37    43   -48    52   0.09850  1.0 1.0
   37    43   -48    52   0.15250 -1.0 2.0
   37    43   -48    52  -0.50650  1.0 3.0
   37    43    48    53   0.09700  1.0 1.0
   37    43    48    53   0.15600 -1.0 2.0
   37    43    48    53  -0.50800  1.0 3.0
   37    45    49    55   1.63150  1.0 1.0
   37    45    49    55   2.92000 -1.0 2.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    47   0.43200  1.0 3.0
   38    37    43    48   0.15000  1.0 3.0
   38    37    45    46   0.00000  1.0 1.0
   38    37    45    49   0.00000  1.0 1.0
   43    37    45    46   0.30150 -1.0 2.0
   43    37    45    49   0.36750  1.0 3.0
   43    47    50    51   3.62500 -1.0 2.0
   43    47    50    58   3.62500 -1.0 2.0
   43    47    85    77   3.62500 -1.0 2.0
   43    47    85    87   3.62500 -1.0 2.0
   43    48    52    60   7.00000 -1.0 2.0
   43    48    52    62   7.00000 -1.0 2.0
   43    48    53    54  -0.64400  1.0 1.0
   43    48    53    54   0.26850 -1.0 2.0
   43    48    53    66  -0.15000  1.0 1.0
   43    48    53    66   0.89550 -1.0 2.0
   43    48    53    66  -0.06900  1.0 3.0
   44    43    47    50   0.00000  1.0 1.0
   44    43    47    85   0.00000  1.0 1.0
   44    43    48    52   0.00000  1.0 1.0
   44    43    48    53   0.15000  1.0 3.0
   47    43    48    52   1.44450  1.0 1.0
   47    43    48    52   0.06600 -1.0 2.0
   47    43    48    52   0.29250  1.0 3.0
   47    43    48    53   0.09700  1.0 1.0
   47    43    48    53   0.15600 -1.0 2.0
   47    43    48    53  -0.50800  1.0 3.0
   47    50    58    59   3.62500 -1.0 2.0
   47    50    58    70   3.62500 -1.0 2.0
   47    85    87    88   0.00000  1.0 1.0
   47    85    87    89   0.00000  1.0 1.0
   47    85    87    90   0.00000  1.0 1.0
   50    47    85    77   3.62500 -1.0 2.0
   50    47    85    87   3.62500 -1.0 2.0
   50    58    70    71   3.62500 -1.0 2.0
   50    58   -70    77   3.62500 -1.0 2.0
   51    50    58    59   3.62500 -1.0 2.0
   51    50    58    70   3.62500 -1.0 2.0
   58    70    77    78   3.62500 -1.0 2.0
   58    70    77    85   3.62500 -1.0 2.0
   59    58    70    71   3.62500 -1.0 2.0
   59    58    70    77   3.62500 -1.0 2.0
   70    77   -85    47   3.62500 -1.0 2.0
   70    77    85    87   3.62500 -1.0 2.0
   71    70    77    78   3.62500 -1.0 2.0
   71    70    77    85   3.62500 -1.0 2.0
   77    85    87    88   0.00000  1.0 1.0
   77    85    87    89   0.00000  1.0 1.0
   77    85    87    90   0.00000  1.0 1.0
   78    77    85    47   3.62500 -1.0 2.0
   78    77    85    87   3.62500 -1.0 2.0
   85    47    50    51   3.62500 -1.0 2.0
   85    47   -50    58   3.62500 -1.0 2.0
   48    43    47    50   0.18050 -1.0 2.0
   48    43    47    85   0.18050 -1.0 2.0
   48    52   -60    33  -0.54700  1.0 1.0
   48    52   -60    33   1.23000 -1.0 2.0
   48    52    60    61   1.00000 -1.0 2.0
   48    52    62    63   0.00000  1.0 1.0
   48    52    62    64   0.00000  1.0 1.0
   48    52    62    65   0.00000  1.0 1.0
   48    53    66    72   2.00000 -1.0 2.0
   52    48    53    54   1.00000 -1.0 2.0
   52    48    53    66  -0.56150  1.0 1.0
   52    48    53    66   2.19150 -1.0 2.0
   60    33    37    38   0.22950  1.0 3.0
   60    33   -37    43   1.26750  1.0 1.0
   60    33   -37    43  -0.00950 -1.0 2.0
   60    33   -37    43   0.30600  1.0 3.0
   60    33    37    45  -2.10200  1.0 1.0
   60    33    37    45  -0.31600 -1.0 2.0
   60    33    37    45   0.13050  1.0 3.0
   60    33    39    40   0.22950  1.0 3.0
   60    33    39    41   0.22950  1.0 3.0
   60    33    39    42   0.22950  1.0 3.0
   60    52    62    63  -0.18050  1.0 3.0
   60    52    62    64  -0.18050  1.0 3.0
   60    52    62    65  -0.18050  1.0 3.0
   62    52    60    33   1.00000 -1.0 2.0
   62    52    60    61   2.40850 -1.0 2.0
   53    48    52    60   7.00000 -1.0 2.0
   53    48    52    62   7.00000 -1.0 2.0
   53    66    72    73   0.08050  1.0 3.0
   53    66    72    74   0.08050  1.0 3.0
   53    66    72    79  -0.25900  1.0 1.0
   53    66    72    79  -0.47000 -1.0 2.0
   53    66    72    79   0.11750  1.0 3.0
   54    53    66    72   3.00000 -1.0 2.0
   66    72    79    80   0.23400  1.0 3.0
   66    72    79    81   0.23400  1.0 3.0
   66    72    79    82   0.23400  1.0 3.0
   73    72    79    80   0.15000  1.0 3.0
   73    72    79    81   0.15000  1.0 3.0
   73    72    79    82   0.15000  1.0 3.0
   74    72    79    80   0.15000  1.0 3.0
   74    72    79    81   0.15000  1.0 3.0
   74    72    79    82   0.15000  1.0 3.0
   45    37    43    44  -0.11250  1.0 3.0
   45    37    43    47   0.56750  1.0 1.0
   45    37    43    47  -0.07550 -1.0 2.0
   45    37    43    47   0.20000  1.0 3.0
   45    37    43    48  -0.98800  1.0 1.0
   45    37    43    48   0.48800 -1.0 2.0
   45    37    43    48   0.76800  1.0 3.0
   45    49    55    56   0.08050  1.0 3.0
   45    49    55    57   0.08050  1.0 3.0
   45    49    55    67  -0.25900  1.0 1.0
   45    49    55    67  -0.47000 -1.0 2.0
   45    49    55    67   0.11750  1.0 3.0
   46    45    49    55   3.00000 -1.0 2.0
   49    55    67    68   0.23400  1.0 3.0
   49    55    67    69   0.23400  1.0 3.0
   49    55    67    75   1.12100  1.0 1.0
   49    55    67    75  -0.16500 -1.0 2.0
   55    67    75    76   0.00000  1.0 1.0
   55    67    75    83  -0.43950  1.0 1.0
   55    67    75    83  -0.08100 -1.0 2.0
   55    67    75    83   0.03350  1.0 3.0
   56    55    67    68   0.15000  1.0 3.0
   56    55    67    69   0.15000  1.0 3.0
   56    55    67    75   0.15000  1.0 3.0
   57    55    67    68   0.15000  1.0 3.0
   57    55    67    69   0.15000  1.0 3.0
   57    55    67    75   0.15000  1.0 3.0
   67    75    83    84   3.04450 -1.0 2.0
   67    75    83    86   1.49850  1.0 1.0
   67    75    83    86   1.53950 -1.0 2.0
   68    67    75    76   0.00000  1.0 1.0
   68    67    75    83   0.00000  1.0 1.0
   69    67    75    76   0.00000  1.0 1.0
   69    67    75    83   0.00000  1.0 1.0
   75    83    86    91   0.75700  1.0 1.0
   75    83    86    91   0.34650 -1.0 2.0
   75    83    86    91   0.33000  1.0 3.0
   75    83    86    91  -0.28100 -1.0 4.0
   75    83    86    99   0.75700  1.0 1.0
   75    83    86    99   0.34650 -1.0 2.0
   75    83    86    99   0.33000  1.0 3.0
   75    83    86    99  -0.28100 -1.0 4.0
   76    75    83    84   2.45000 -1.0 2.0
   76    75    83    86   2.56700 -1.0 2.0
   83    86    91    92   3.62500 -1.0 2.0
   83    86    91    93   3.62500 -1.0 2.0
   83    86    99    96   3.62500 -1.0 2.0
   83    86    99   100   3.62500 -1.0 2.0
   84    83    86    91   1.05000 -1.0 2.0
   84    83    86    99   1.05000 -1.0 2.0
   86    91    93    94   3.62500 -1.0 2.0
   86    91    93    95   3.62500 -1.0 2.0
   91    86    99    96   3.62500 -1.0 2.0
   91    86    99   100   3.62500 -1.0 2.0
   91    93   -95    96   3.62500 -1.0 2.0
   91    93    95    98   3.62500 -1.0 2.0
   92    91    93    94   3.62500 -1.0 2.0
   92    91    93    95   3.62500 -1.0 2.0
   93    95    96    97   3.62500 -1.0 2.0
   93    95    96    99   3.62500 -1.0 2.0
   93    95    98   101  -0.10750  1.0 1.0
   93    95    98   101   2.05950 -1.0 2.0
   93    95    98   101  -0.55750  1.0 3.0
   94    93    95    96   3.62500 -1.0 2.0
   94    93    95    98   3.62500 -1.0 2.0
   95    96   -99    86   3.62500 -1.0 2.0
   95    96    99   100   3.62500 -1.0 2.0
   95    98   101   102   0.00000  1.0 1.0
   96    95    98   101  -0.10750  1.0 1.0
   96    95    98   101   2.05950 -1.0 2.0
   96    95    98   101  -0.55750  1.0 3.0
   97    96    99    86   3.62500 -1.0 2.0
   97    96    99   100   3.62500 -1.0 2.0
   99    86    91    92   3.62500 -1.0 2.0
   99    86   -91    93   3.62500 -1.0 2.0
   98    95    96    97   3.62500 -1.0 2.0
   98    95    96    99   3.62500 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    37    45  -0.95700  1.0 1.0
   39    33    37    45  -0.18200 -1.0 2.0
   39    33    37    45   0.29450  1.0 3.0
   39    33    60    52   0.25450  1.0 1.0
   39    33    60    52  -0.61700 -1.0 2.0
   39    33    60    52  -0.23550  1.0 3.0
   39    33    60    61   0.00000  1.0 1.0
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
   35    30    34    36  10.50000 -1.0 2.0
   50    85    47    43   4.00000 -1.0 2.0
   58    51    50    47   1.10000 -1.0 2.0
   70    59    58    50   1.10000 -1.0 2.0
   77    71    70    58   1.10000 -1.0 2.0
   85    78    77    70   1.10000 -1.0 2.0
   77    87    85    47   4.00000 -1.0 2.0
   43    53    48    52   1.10000 -1.0 2.0
   62    60    52    48   1.10000 -1.0 2.0
   61    52    60    33   1.00000 -1.0 2.0
   48    66    53    54  10.50000 -1.0 2.0
   37    49    45    46  10.50000 -1.0 2.0
   76    83    75    67   1.00000 -1.0 2.0
   75    86    83    84  10.50000 -1.0 2.0
   91    99    86    83   4.00000 -1.0 2.0
   93    92    91    86   1.10000 -1.0 2.0
   95    94    93    91   1.10000 -1.0 2.0
   96    98    95    93   4.00000 -1.0 2.0
   99    97    96    95   1.10000 -1.0 2.0
   96   100    99    86   1.10000 -1.0 2.0
END
