* LIGAND DATABASE FILE (OPLS2005)
*
001     100   102    180    274     523
    1     0 S   NP   _N1_     1    28.80883    95.31147   -24.41248
    2     1 S   H    _HN1     2     1.02950    78.89213    14.54520
    3     1 S   H    _H1_     3     1.02830    29.13498   179.74512
    4     1 S   H    _H2_     4     1.02787   111.01742   -91.03292
    5     1 S   CT   _CA1     5     1.50105   129.39613   121.92816
    6     5 S   HC   _HA1     6     1.09573   105.20333    85.39245
    7     5 S   CO3  _C1_     7     1.53788   112.47741   -34.87006
    8     7 S   O2Z  _O11     8     1.26373   115.00536   -42.50136
    9     7 S   O2Z  _O12     9     1.26240   114.95053   136.68737
   10     5 S   CT   _CB1    10     1.53087   107.43172  -156.60057
   11    10 S   HC   HB11    11     1.09833   109.39158   -49.66197
   12    10 S   HC   HB12    12     1.09814   110.44337    66.95497
   13    10 S   CT   _CG1    13     1.52990   112.58971  -170.63110
   14    13 S   HC   HG11    14     1.09581   110.64018   -65.47965
   15    13 S   HC   HG12    15     1.09671   109.77677    53.74785
   16    13 S   C    _CD1    16     1.51795   112.23382   174.23435
   17    16 S   O    _OE1    17     1.22730   123.29099     7.32491
   18    16 S   N    _N2_    18     1.38655   111.66393  -172.83588
   19    18 S   H    _HN2    19     1.01582   118.93415     1.81531
   20    18 S   CT1  _CA2    20     1.46192   123.37642   177.47819
   21    20 S   HC   _HA2    21     1.09740   109.39930     2.38843
   22    20 S   C    _C2_    22     1.53556   108.55242  -113.07926
   23    22 S   O    _O2_    23     1.23058   122.28915  -147.48496
   24    20 S   CT   _CB2    32     1.53410   111.59059   124.47163
   25    24 S   HC   HB21    33     1.09414   109.74098    56.51204
   26    24 S   HC   HB22    34     1.09453   109.59224   175.28167
   27    22 S   N    _N3_    24     1.38325   113.68374    39.92982
   28    27 S   H    _HN3    25     1.01586   119.60211    -3.29426
   29    24 S   S    _SG2    35     1.83027   111.18213   -65.18846
   30    27 S   CT   _CA3    26     1.45287   123.21059   177.13926
   31    30 S   HC   HA31    27     1.09550   107.50599   -64.70231
   32    30 S   HC   HA32    28     1.09557   107.99232    51.74038
   33    29 S   CT   _C9_    36     1.86430   101.73834   174.31063
   34    30 S   CO3  _C3_    29     1.52961   114.07512   173.73643
   35    34 S   O2Z  _O31    30     1.26377   116.06532    -0.75744
   36    34 S   O2Z  _O32    31     1.26428   114.41256   179.30875
   37    33 S   CT   _C8_    37     1.55865   108.14995   162.95781
   38    37 S   HC   _H4_    38     1.10190   108.43530    47.03129
   39    33 S   CT   _C10    97     1.53611   107.46239   -75.53471
   40    39 S   HC   _H9_    98     1.09515   112.41697    58.41622
   41    39 S   HC   _H10    99     1.09612   111.54754   -63.17362
   42    39 S   HC   _H11   100     1.09608   111.51578   176.50313
   43    37 S   CT   _C7_    39     1.56657   112.21937   -71.45620
   44    43 S   HC   _H3_    40     1.10133   106.64896    72.02319
   45    37 S   CO4  _C11    90     1.53140   112.02627   160.68789
   46    45 S   O    _O33    91     1.22643   122.70041  -114.50895
   47    43 S   CA   _C13    41     1.52999   111.15886  -174.10239
   48    43 S   CM   _C6_    54     1.52721   112.80138   -40.87144
   49    45 S   OS   _O34    92     1.36060   112.11338    64.96864
   50    47 S   CA   _C14    42     1.40594   122.74502    93.96737
   51    50 S   HA   _H15    43     1.08733   120.76511     0.50783
   52    48 S   CM   _C5_    55     1.35266   121.58103    15.71880
   53    48 S   CO4  _C19    62     1.48338   118.59583  -166.60665
   54    53 S   O    _O37    63     1.22125   124.49913   125.32463
   55    49 S   CT   _C12    93     1.43024   115.53761  -179.67135
   56    55 S   HC   _H12    94     1.09321   108.06664  -179.18004
   57    55 S   HC   _H13    95     1.09413   110.23214    62.14668
   58    55 S   HC   _H14    96     1.09422   110.33915   -60.50288
   59    50 S   CA   _C15    44     1.39852   121.09596  -179.22696
   60    59 S   HA   _H16    45     1.08666   119.72443  -179.69226
   61    33 S   NE   _N4_    56     1.45603   110.39771    43.96553
   62    61 S   H    _H8_    57     1.01570   117.79338   -84.18083
   63    52 S   CT   _C4_    58     1.50842   124.74242   178.68657
   64    63 S   HC   _H5_    59     1.09487   109.95803   105.52651
   65    63 S   HC   _H6_    60     1.09269   113.66114   -16.21206
   66    63 S   HC   _H7_    61     1.09627   110.32058  -135.27636
   67    53 S   OS   _O38    64     1.35699   108.34459   -53.83658
   68    59 S   CA   _C16    46     1.39185   120.34176     0.73754
   69    68 S   HA   _H17    47     1.08622   119.40695   179.39932
   70    67 S   CT   _C20    65     1.43634   115.63602   176.42500
   71    70 S   HC   _H19    66     1.09514   110.45674   -49.21389
   72    70 S   HC   _H20    67     1.09625   108.36331    69.41071
   73    68 S   CA   _C17    48     1.39430   118.71789     0.33630
   74    70 S   CT   _C21    68     1.53149   108.76771  -172.10022
   75    74 S   HC   _H21    69     1.09709   109.78601  -176.57617
   76    74 S   HC   _H22    70     1.09788   106.42392   -60.71136
   77    47 S   CA   _C18    49     1.40527   118.81610   -83.80118
   78    77 S   HA   _H18    50     1.08768   119.62269    -1.22253
   79    73 S   NO2  _N5_    51     1.45145   119.09669   178.76378
   80    79 S   ON   _O36    52     1.23842   117.42817    38.00617
   81    79 S   ON   _O35    53     1.23824   117.36520  -141.48349
   82    74 S   NT   _N6_    71     1.47669   113.70695    58.53839
   83    82 S   CT   _C22    72     1.46673   111.45234    67.84994
   84    83 S   HC   _H23    73     1.09403   111.26532   -63.17860
   85    83 S   HC   _H24    74     1.09462   111.33358   179.50071
   86    83 S   HC   _H25    75     1.09592   112.00526    58.35628
   87    82 S   CT   _C23    76     1.47572   109.97404  -168.80483
   88    87 S   HC   _H26    77     1.09891   110.27534    42.71880
   89    87 S   HC   _H27    78     1.09837   110.97016   -73.81671
   90    87 S   CA   _C24    79     1.51265   113.06321   160.94930
   91    90 S   CA   _C25    80     1.40282   120.21248   -69.41950
   92    91 S   HA   _H28    81     1.08741   120.24905     0.28804
   93    91 S   CA   _C26    82     1.39514   120.46510  -179.70064
   94    93 S   HA   _H29    83     1.08620   119.97686  -179.89347
   95    93 S   CA   _C27    84     1.39358   120.02665    -0.20653
   96    95 S   HA   _H30    85     1.08614   119.99067  -179.68102
   97    95 S   CA   _C28    86     1.39375   119.98432     0.01978
   98    97 S   HA   _H31    87     1.08625   119.95468  -179.76015
   99    90 S   CA   _C29    88     1.40134   120.75892   110.67069
  100    99 S   HA   _H32    89     1.08703   120.43375    -0.33513
  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  12  13
   4   8   4   9   8   2   3   2   1   1   6   3   5   1   3   2
   1   1   7   7   3   8   5   4   5  11   4   3   4   1   2   1
   1  10   7   3   2   1   9   4   3   9   8   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    61    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    52    61    62    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    48    52    61    62    63    45    46    49    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    47    50    77    48    52    61    62    53    45    46    49    55    39    40    41    42  
   43    44    47    48    61    45    46    49    39  
   40    41    42    43    45    52    61    62  
   41    42    61  
   42    61  
   61  
   44    47    50    51    59    73    77    78    48    52    61    63    53    54    67    45    46    49  
   47    50    77    48    52    53    45  
   46    49    55    56    57    58    47    48    61  
   49    55  
   50    51    59    60    68    73    77    78    79    48    52    53  
   52    61    62    63    64    65    66    53    54    67    70    50    77  
   55    56    57    58  
   51    59    60    68    69    73    77    78  
   59    60    68    77  
   61    62    63    64    65    66    53    54    67  
   54    67    70    71    72    74    61    63  
   67    70  
   56    57    58  
   57    58  
   58  
    0  
   60    68    69    73    77    79  
   68    69    73  
   62    63    64    65    66  
   63  
   64    65    66  
   65    66  
   66  
    0  
   70    71    72    74    75    76    82  
   69    73    77    78    79    80    81  
   73    77    79  
   71    72    74    75    76    82    83    87  
   72    74    75    76    82  
   74    75    76    82  
   77    78    79    80    81  
   75    76    82    83    84    85    86    87    88    89    90  
   76    82    83    87  
   82    83    87  
   78    79    80    81  
   79  
   80    81  
   81  
    0  
   83    84    85    86    87    88    89    90    91    99  
   84    85    86    87    88    89    90  
   85    86    87  
   86    87  
   87  
   88    89    90    91    92    93    97    99   100  
   89    90    91    99  
   90    91    99  
   91    92    93    94    95    97    98    99   100  
   92    93    94    95    96    97    99   100  
   93    94    95    99  
   94    95    96    97    98    99  
   95    96    97  
   96    97    98    99   100  
   97    98    99  
   98    99   100  
   99   100  
  100  
    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   1.5900   1.4000   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   0.160000   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   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   62   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   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   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   80   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   81   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   82   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   83   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   96   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   97   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   98   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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
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    61   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    77   469.000  1.400
   50    51   367.000  1.080
   50    59   469.000  1.400
   59    60   367.000  1.080
   59    68   469.000  1.400
   68    69   367.000  1.080
   68    73   469.000  1.400
   73    77   469.000  1.400
   73    79   400.000  1.460
   77    78   367.000  1.080
   79    80   550.000  1.225
   79    81   550.000  1.225
   48    52   549.000  1.340
   48    53   320.000  1.462
   52    61   425.000  1.378
   52    63   317.000  1.510
   61    62   434.000  1.010
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   53    54   570.000  1.229
   53    67   214.000  1.327
   67    70   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    82   382.000  1.448
   82    83   382.000  1.448
   82    87   382.000  1.448
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   317.000  1.510
   90    91   469.000  1.400
   90    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   367.000  1.080
   95    97   469.000  1.400
   97    98   367.000  1.080
   97    99   469.000  1.400
   99   100   367.000  1.080
   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    58   340.000  1.090
   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    61    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    61    52    50.00000  121.00000
   33    61    62    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    77    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    59    63.00000  120.00000
   47    77    73    63.00000  120.00000
   47    77    78    35.00000  120.00000
   50    59    60    35.00000  120.00000
   50    59    68    63.00000  120.00000
   59    50    51    35.00000  120.00000
   59    68    69    35.00000  120.00000
   59    68    73    63.00000  120.00000
   68    59    60    35.00000  120.00000
   68    73    77    63.00000  120.00000
   68    73    79    85.00000  120.00000
   73    68    69    35.00000  120.00000
   73    77    78    35.00000  120.00000
   73    79    80    80.00000  117.50000
   73    79    81    80.00000  117.50000
   77    47    50    63.00000  120.00000
   79    73    77    85.00000  120.00000
   81    79    80    80.00000  125.30000
   48    43    44    35.00000  109.50000
   48    43    47    70.00000  112.99600
   48    52    61    70.00000  124.03900
   48    52    63    70.00000  124.00000
   48    53    54    80.00000  123.72100
   48    53    67    90.00000  111.29400
   52    61    62    35.00000  114.50000
   52    63    64    35.00000  109.50000
   52    63    65    35.00000  109.50000
   52    63    66    35.00000  109.50000
   61    33    37    80.00000  111.61500
   63    52    61    75.00000  116.24600
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   53    48    52    65.00000  118.96000
   53    67    70    83.00000  116.90000
   67    53    54    83.00000  123.40000
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    74    50.00000  109.50000
   70    74    75    37.50000  110.70000
   70    74    76    37.50000  110.70000
   70    74    82    56.20000  109.47000
   72    70    71    33.00000  107.80000
   74    70    71    37.50000  110.70000
   74    70    72    37.50000  110.70000
   74    82    83    51.80000  107.20000
   74    82    87    51.80000  107.20000
   76    74    75    33.00000  107.80000
   82    74    75    35.00000  109.50000
   82    74    76    35.00000  109.50000
   82    83    84    35.00000  109.50000
   82    83    85    35.00000  109.50000
   82    83    86    35.00000  109.50000
   82    87    88    35.00000  109.50000
   82    87    89    35.00000  109.50000
   82    87    90    75.00000  112.33000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    82    83    51.80000  107.20000
   87    90    91    70.00000  120.00000
   87    90    99    70.00000  120.00000
   89    87    88    33.00000  107.80000
   90    87    88    35.00000  109.50000
   90    87    89    35.00000  109.50000
   90    91    92    35.00000  120.00000
   90    91    93    63.00000  120.00000
   90    99    97    63.00000  120.00000
   90    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    35.00000  120.00000
   93    95    97    63.00000  120.00000
   95    93    94    35.00000  120.00000
   95    97    98    35.00000  120.00000
   95    97    99    63.00000  120.00000
   97    95    96    35.00000  120.00000
   97    99   100    35.00000  120.00000
   99    90    91    63.00000  120.00000
   99    97    98    35.00000  120.00000
   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    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    61    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    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   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    61    52  -0.12500  1.0 1.0
   29    33    61    52  -0.12500 -1.0 2.0
   29    33    61    52   0.25000  1.0 3.0
   29    33    61    62  -0.12500  1.0 1.0
   29    33    61    62  -0.12500 -1.0 2.0
   29    33    61    62   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    61    52   0.25450  1.0 1.0
   37    33    61    52  -0.61700 -1.0 2.0
   37    33    61    52  -0.23550  1.0 3.0
   37    33    61    62   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    77   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    59   3.62500 -1.0 2.0
   43    47    77    73   3.62500 -1.0 2.0
   43    47    77    78   3.62500 -1.0 2.0
   43    48    52    61   7.00000 -1.0 2.0
   43    48    52    63   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    67  -0.15000  1.0 1.0
   43    48    53    67   0.89550 -1.0 2.0
   43    48    53    67  -0.06900  1.0 3.0
   44    43    47    50   0.00000  1.0 1.0
   44    43    47    77   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    59    60   3.62500 -1.0 2.0
   47    50    59    68   3.62500 -1.0 2.0
   50    47    77    73   3.62500 -1.0 2.0
   50    47    77    78   3.62500 -1.0 2.0
   50    59    68    69   3.62500 -1.0 2.0
   50    59   -68    73   3.62500 -1.0 2.0
   51    50    59    60   3.62500 -1.0 2.0
   51    50    59    68   3.62500 -1.0 2.0
   59    68    73    77   3.62500 -1.0 2.0
   59    68    73    79   3.62500 -1.0 2.0
   60    59    68    69   3.62500 -1.0 2.0
   60    59    68    73   3.62500 -1.0 2.0
   68    73   -77    47   3.62500 -1.0 2.0
   68    73    77    78   3.62500 -1.0 2.0
   68    73    79    80   0.69950 -1.0 2.0
   68    73    79    81   0.69950 -1.0 2.0
   69    68    73    77   3.62500 -1.0 2.0
   69    68    73    79   3.62500 -1.0 2.0
   77    47    50    51   3.62500 -1.0 2.0
   77    47   -50    59   3.62500 -1.0 2.0
   77    73    79    80   0.69950 -1.0 2.0
   77    73    79    81   0.69950 -1.0 2.0
   79    73    77    47   3.62500 -1.0 2.0
   79    73    77    78   3.62500 -1.0 2.0
   48    43    47    50   0.18050 -1.0 2.0
   48    43    47    77   0.18050 -1.0 2.0
   48    52   -61    33  -0.54700  1.0 1.0
   48    52   -61    33   1.23000 -1.0 2.0
   48    52    61    62   1.00000 -1.0 2.0
   48    52    63    64   0.00000  1.0 1.0
   48    52    63    65   0.00000  1.0 1.0
   48    52    63    66   0.00000  1.0 1.0
   48    53    67    70   2.00000 -1.0 2.0
   52    48    53    54   1.00000 -1.0 2.0
   52    48    53    67  -0.56150  1.0 1.0
   52    48    53    67   2.19150 -1.0 2.0
   61    33    37    38   0.22950  1.0 3.0
   61    33   -37    43   1.26750  1.0 1.0
   61    33   -37    43  -0.00950 -1.0 2.0
   61    33   -37    43   0.30600  1.0 3.0
   61    33    37    45  -2.10200  1.0 1.0
   61    33    37    45  -0.31600 -1.0 2.0
   61    33    37    45   0.13050  1.0 3.0
   61    33    39    40   0.22950  1.0 3.0
   61    33    39    41   0.22950  1.0 3.0
   61    33    39    42   0.22950  1.0 3.0
   61    52    63    64  -0.18050  1.0 3.0
   61    52    63    65  -0.18050  1.0 3.0
   61    52    63    66  -0.18050  1.0 3.0
   63    52    61    33   1.00000 -1.0 2.0
   63    52    61    62   2.40850 -1.0 2.0
   53    48    52    61   7.00000 -1.0 2.0
   53    48    52    63   7.00000 -1.0 2.0
   53    67    70    71   0.08050  1.0 3.0
   53    67    70    72   0.08050  1.0 3.0
   53    67    70    74  -0.25900  1.0 1.0
   53    67    70    74  -0.47000 -1.0 2.0
   53    67    70    74   0.11750  1.0 3.0
   54    53    67    70   3.00000 -1.0 2.0
   67    70    74    75   0.23400  1.0 3.0
   67    70    74    76   0.23400  1.0 3.0
   67    70    74    82   1.74050  1.0 1.0
   70    74    82    83   0.23450  1.0 1.0
   70    74    82    83   0.02050 -1.0 2.0
   70    74    82    83   0.25250  1.0 3.0
   70    74    82    87   0.23450  1.0 1.0
   70    74    82    87   0.02050 -1.0 2.0
   70    74    82    87   0.25250  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    76   0.15000  1.0 3.0
   71    70    74    82   0.15000  1.0 3.0
   72    70    74    75   0.15000  1.0 3.0
   72    70    74    76   0.15000  1.0 3.0
   72    70    74    82   0.15000  1.0 3.0
   74    82    83    84   0.28000  1.0 3.0
   74    82    83    85   0.28000  1.0 3.0
   74    82    83    86   0.28000  1.0 3.0
   74    82    87    88   0.28000  1.0 3.0
   74    82    87    89   0.28000  1.0 3.0
   74    82    87    90   0.82600  1.0 1.0
   74    82    87    90  -0.32100 -1.0 2.0
   74    82    87    90   1.02000  1.0 3.0
   75    74    82    83   0.28000  1.0 3.0
   75    74    82    87   0.28000  1.0 3.0
   76    74    82    83   0.28000  1.0 3.0
   76    74    82    87   0.28000  1.0 3.0
   82    87    90    91   0.18550 -1.0 2.0
   82    87    90    91   0.14000  1.0 3.0
   82    87    90    99   0.18550 -1.0 2.0
   82    87    90    99   0.14000  1.0 3.0
   83    82    87    88   0.28000  1.0 3.0
   83    82    87    89   0.28000  1.0 3.0
   83    82    87    90   0.82600  1.0 1.0
   83    82    87    90  -0.32100 -1.0 2.0
   83    82    87    90   1.02000  1.0 3.0
   87    82    83    84   0.28000  1.0 3.0
   87    82    83    85   0.28000  1.0 3.0
   87    82    83    86   0.28000  1.0 3.0
   87    90    91    92   3.62500 -1.0 2.0
   87    90    91    93   3.62500 -1.0 2.0
   87    90    99    97   3.62500 -1.0 2.0
   87    90    99   100   3.62500 -1.0 2.0
   88    87    90    91   0.00000  1.0 1.0
   88    87    90    99   0.00000  1.0 1.0
   89    87    90    91   0.00000  1.0 1.0
   89    87    90    99   0.00000  1.0 1.0
   90    91    93    94   3.62500 -1.0 2.0
   90    91    93    95   3.62500 -1.0 2.0
   91    90    99    97   3.62500 -1.0 2.0
   91    90    99   100   3.62500 -1.0 2.0
   91    93    95    96   3.62500 -1.0 2.0
   91    93   -95    97   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    97    98   3.62500 -1.0 2.0
   93    95    97    99   3.62500 -1.0 2.0
   94    93    95    96   3.62500 -1.0 2.0
   94    93    95    97   3.62500 -1.0 2.0
   95    97   -99    90   3.62500 -1.0 2.0
   95    97    99   100   3.62500 -1.0 2.0
   96    95    97    98   3.62500 -1.0 2.0
   96    95    97    99   3.62500 -1.0 2.0
   98    97    99    90   3.62500 -1.0 2.0
   98    97    99   100   3.62500 -1.0 2.0
   99    90    91    92   3.62500 -1.0 2.0
   99    90   -91    93   3.62500 -1.0 2.0
   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    58   0.08050  1.0 3.0
   46    45    49    55   3.00000 -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    61    52   0.25450  1.0 1.0
   39    33    61    52  -0.61700 -1.0 2.0
   39    33    61    52  -0.23550  1.0 3.0
   39    33    61    62   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    77    47    43   4.00000 -1.0 2.0
   59    51    50    47   1.10000 -1.0 2.0
   68    60    59    50   1.10000 -1.0 2.0
   73    69    68    59   1.10000 -1.0 2.0
   77    79    73    68   4.00000 -1.0 2.0
   73    78    77    47   1.10000 -1.0 2.0
   80    73    79    81  10.50000 -1.0 2.0
   43    53    48    52   1.10000 -1.0 2.0
   63    61    52    48   1.10000 -1.0 2.0
   62    52    61    33   1.00000 -1.0 2.0
   48    67    53    54  10.50000 -1.0 2.0
   91    99    90    87   4.00000 -1.0 2.0
   93    92    91    90   1.10000 -1.0 2.0
   95    94    93    91   1.10000 -1.0 2.0
   97    96    95    93   1.10000 -1.0 2.0
   99    98    97    95   1.10000 -1.0 2.0
   97   100    99    90   1.10000 -1.0 2.0
   37    49    45    46  10.50000 -1.0 2.0
END
