* LIGAND DATABASE FILE (OPLS2005)
*
001      92    94    168    251     485
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02101    79.02234   -85.13583
    3     1 S   H    _H1_     3     1.02087    99.36962    22.24396
    4     1 S   H    _H2_     4     1.02146    36.68999   131.07626
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98761
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04808   118.78025     8.54305
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29774   -11.15207
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08575   109.89770   179.09713
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C8_    36     1.82989    97.88506   159.97755
   34    33 S   HC   _H4_    37     1.09626   104.32215   -44.29353
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   38    33 S   C    _C9_    38     1.52371   108.52480  -159.98184
   39    38 S   O    _O33    39     1.22663   123.62174   -37.13426
   40    33 S   CT   _C6_    80     1.55005   112.92598    73.55328
   41    40 S   HC   _H3_    81     1.09951   107.31703   -56.13959
   42    38 S   NS   _N4_    40     1.43346   113.55163   143.94496
   43    42 S   H    _H17    41     1.02814   117.85925    -0.00000
   44    40 S   CT   _C7_    82     1.53677   109.88553  -171.26693
   45    44 S   HC   _H14    83     1.09522   111.00776   -64.23452
   46    44 S   HC   _H15    84     1.09466   111.20320    54.63088
   47    44 S   HC   _H16    85     1.09592   111.57337   175.07268
   48    40 S   CT   _C5_    86     1.54591   114.23822    63.30862
   49    48 S   HC   _H12    87     1.09650   110.31486    59.01372
   50    48 S   HC   _H13    88     1.09432   110.22038   -58.77447
   51    42 S   SY   _S1_    42     1.71530   124.20174   179.98022
   52    51 S   OY   _O34    43     1.45151   107.34326     5.92027
   53    51 S   OY   _O35    44     1.45122   108.01717  -125.28285
   54    48 S   CT   _C4_    89     1.52433   113.45156  -179.19109
   55    54 S   HC   _H9_    90     1.09506   110.98934    57.10733
   56    54 S   HC   _H10    91     1.09475   110.00704   176.52362
   57    54 S   HC   _H11    92     1.09292   111.72209   -64.22145
   58    51 S   OS   _O36    45     1.63499   102.94357   120.00607
   59    58 S   P2   _P1_    46     1.63671   114.52097   180.00000
   60    59 S   O2Z  _O38    47     1.51383   109.26942    60.01566
   61    59 S   O2Z  _O37    48     1.51380   109.31312   -74.69771
   62    59 S   OS   _O39    49     1.63683    97.80035   172.63609
   63    62 S   CT   _C10    50     1.41809   118.07926    66.64904
   64    63 S   HC   _H18    51     1.09468   108.74542     0.56614
   65    63 S   HC   _H19    52     1.09367   108.80087   119.33581
   66    63 S   CT   _C11    53     1.51802   108.99919  -119.96274
   67    66 S   HC   _H5_    54     1.09509   109.28133   -56.45389
   68    66 S   CT   _C12    55     1.52498   115.48023   179.52440
   69    68 S   HC   _H6_    56     1.09445   113.33925    83.57736
   70    68 S   CT   _C13    57     1.51614   100.44636  -155.40864
   71    70 S   HC   _H7_    58     1.09764   108.19059   -75.35403
   72    68 S   OH   _O42    78     1.42177   110.83289   -38.22101
   73    72 S   HO   _H25    79     0.97049   106.73992    69.42973
   74    70 S   CO   _C14    59     1.52755   102.65508    39.14903
   75    74 S   HC   _H8_    60     1.09456   110.92960  -148.79899
   76    70 S   OH   _O41    76     1.41031   114.10872   164.58373
   77    76 S   HO   _H24    77     0.97338   107.35084    60.05262
   78    74 S   N*   _N5_    61     1.47256   110.82518    94.27741
   79    66 S   OS   _O40    75     1.44409   109.26338    59.76542
   80    78 S   CRAB _C15    62     1.54802   122.36984   -89.83289
   81    80 S   HA   _H20    63     1.09895   124.02004     0.04423
   82    80 S   NNA  _N6_    64     1.29752   111.30178  -179.91844
   83    82 S   C56B _C16    65     1.38249   104.09076    -0.03956
   84    83 S   CA   _C17    66     1.34535   130.12736  -180.00000
   85    84 S   NB   _N7_    67     1.39166   118.20771  -179.96574
   86    84 S   NND  _N9_    72     1.37350   120.02664     0.05595
   87    86 S   H    _H22    73     0.99282   118.13975     0.01978
   88    86 S   H    _H23    74     0.99268   118.13264  -179.97202
   89    85 S   CQ   _C18    68     1.30133   120.48334     0.01978
   90    89 S   HA   _H21    69     1.10144   118.59555   179.95577
   91    89 S   NB   _N8_    70     1.33481   130.02344    -0.03426
   92    78 S   C56A _C19    71     1.23239   131.80066    90.27565
  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   9   5   4   3
  16   7   2   1   1  11   4  13   8   6   4   7   3   2   1   6
   5   4   7   3   2   3   2   1   1   5   7   3   2   7  10   5
   4  12   6  11   7  11   7   4   1  11   5   3   1   9   2   6
   3   6   8   8   7   4   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    51    40    41    44    45    46    47    48    49    50    54  
   38    39    42    40    41    44    48  
   36    37  
   37  
    0  
   39    42    43    51    52    53    58    40    41    44    48  
   42    43    51    40  
   41    44    45    46    47    48    49    50    54    55    56    57    42  
   44    45    46    47    48    49    50    54  
   43    51    52    53    58    59  
   51    52    53    58  
   45    46    47    48    49    50    54  
   46    47    48  
   47    48  
   48  
   49    50    54    55    56    57  
   50    54    55    56    57  
   54    55    56    57  
   52    53    58    59    60    61    62  
   53    58    59  
   58    59  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61    62    63  
   60    61    62    63    64    65    66  
   61    62    63  
   62    63  
   63    64    65    66    67    68    79  
   64    65    66    67    68    69    70    74    79    72  
   65    66    67    68    79  
   66    67    68    79  
   67    68    69    70    71    74    75    78    79    76    72    73  
   68    69    70    74    79    72  
   69    70    71    74    75    78    79    76    77    72    73  
   70    71    74    79    76    72    73  
   71    74    75    78    80    92    79    76    77    72    73  
   74    75    78    79    76    77    72  
   73    74    76    79  
    0  
   75    78    80    81    82    83    91    92    79    76    77  
   78    80    92    79    76  
   77    78    79  
    0  
   80    81    82    83    84    89    91    92    79  
   80    92  
   81    82    83    84    91    92  
   82    83    92  
   83    84    85    91    92    86  
   84    85    89    91    92    86    87    88  
   85    89    90    91    92    86    87    88  
   89    90    91    92    86    87    88  
   87    88    89    92  
   88  
    0  
   90    91    92  
   91    92  
   92  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.695700   1.9250   1.7000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.667900   1.8100   1.6000   0.054801302  -1.445846770
   43   0.5000   0.0300   0.357200   1.5900   1.4000   0.030040813  -0.651083722
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.2500   1.425300   2.0020   1.7750   0.025682759  -1.666211680
   52   2.9600   0.1700  -0.577000   1.6780   1.4800   0.001000000  -0.126889456
   53   2.9600   0.1700  -0.577000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.9000   0.1400  -0.468800   1.5900   1.4000   0.020110767  -0.896042159
   59   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   60   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   61   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   62   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660   0.080000   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   79   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   82   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   83   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   84   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   85   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   86   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   87   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   88   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   90   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   91   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   92   3.5000   0.0800   0.380000   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   340.000  1.090
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   410.000  1.392
   42    43   500.000  1.020
   42    51   245.000  1.722
   51    52   735.000  1.471
   51    53   735.000  1.471
   51    58   335.000  1.682
   58    59   230.000  1.697
   59    60   525.000  1.480
   59    61   525.000  1.480
   59    62   230.000  1.697
   62    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    79   320.000  1.410
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    72   320.000  1.410
   70    71   340.000  1.090
   70    74   250.000  1.527
   70    76   320.000  1.410
   74    75   340.000  1.090
   74    78   275.000  1.479
   74    79   320.000  1.380
   78    80   440.000  1.371
   78    92   436.000  1.374
   80    81   367.000  1.080
   80    82   529.000  1.304
   82    83   414.000  1.391
   83    84   469.000  1.404
   83    92   447.000  1.419
   84    85   483.000  1.339
   84    86   481.000  1.340
   85    89   502.000  1.324
   89    90   367.000  1.080
   89    91   502.000  1.324
   91    92   461.000  1.354
   86    87   434.000  1.010
   86    88   434.000  1.010
   76    77   553.000  0.945
   72    73   553.000  0.945
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    48   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    70.00000  112.33000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    75.00000  113.74000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   33    40    48    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    45.00000  118.75000
   38    42    51    75.00000  121.06100
   42    38    39    90.00000  121.01300
   42    51    52   115.00000  107.22500
   42    51    53   115.00000  107.22500
   42    51    58   110.00000  109.00000
   51    42    43    50.00000  110.93800
   51    58    59    75.00000  113.00000
   53    51    52   115.00000  120.17200
   58    51    52   135.00000  106.70400
   58    51    53   135.00000  106.70400
   58    59    60   100.00000  108.23000
   58    59    61   100.00000  108.23000
   58    59    62    45.00000  102.60000
   59    62    63   100.00000  120.50000
   61    59    60   140.00000  119.90000
   62    59    60   100.00000  108.23000
   62    59    61   100.00000  108.23000
   62    63    64    35.00000  109.50000
   62    63    65    35.00000  109.50000
   62    63    66    50.00000  109.50000
   63    66    67    37.50000  110.70000
   63    66    68    58.35000  112.70000
   63    66    79    50.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    68    69    37.50000  110.70000
   66    68    70    58.35000  112.70000
   66    68    72    50.00000  109.50000
   66    79    74    60.00000  109.50000
   68    66    67    37.50000  110.70000
   68    70    71    37.50000  110.70000
   68    70    74    75.00000  109.43000
   68    70    76    50.00000  109.50000
   68    72    73    55.00000  108.50000
   70    68    69    37.50000  110.70000
   70    74    75    45.00000  112.01100
   70    74    78    75.00000  107.44000
   70    74    79    90.00000  108.56700
   70    76    77    55.00000  108.50000
   74    70    71    45.00000  108.72000
   74    78    80    70.00000  128.80000
   74    78    92    70.00000  125.80000
   78    74    75    55.00000  103.44000
   78    80    81    35.00000  123.05000
   78    80    82    70.00000  113.90000
   78    92    83    70.00000  106.20000
   78    92    91    70.00000  126.20000
   80    82    83    70.00000  103.80000
   82    80    81    35.00000  123.05000
   82    83    84    70.00000  132.40000
   82    83    92    70.00000  110.40000
   83    84    85    70.00000  117.30000
   83    84    86    70.00000  123.50000
   83    92    91    70.00000  127.70000
   84    85    89    70.00000  118.60000
   84    86    87    35.00000  120.00000
   84    86    88    35.00000  120.00000
   85    89    90    35.00000  115.45000
   85    89    91    70.00000  129.10000
   89    91    92    70.00000  111.00000
   91    89    90    35.00000  115.45000
   92    78    80    70.00000  105.40000
   92    83    84    85.00000  116.20000
   86    84    85    70.00000  119.30000
   88    86    87    35.00000  120.00000
   79    66    67    35.00000  109.50000
   79    66    68    50.00000  109.50000
   79    74    75    35.00000  109.50000
   79    74    78   105.00000  106.22000
   76    70    71    35.00000  109.50000
   76    70    74    90.00000  111.58700
   72    68    69    35.00000  109.50000
   72    68    70    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   40    48    49    37.50000  110.70000
   40    48    50    37.50000  110.70000
   40    48    54    58.35000  112.70000
   44    40    41    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    40    41    37.50000  110.70000
   48    40    44    58.35000  112.70000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    57    37.50000  110.70000
   50    48    49    33.00000  107.80000
   54    48    49    37.50000  110.70000
   54    48    50    37.50000  110.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  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   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    38    39   0.30150 -1.0 2.0
   29    33    38    42   0.00000  1.0 1.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   29    33    40    48   0.44750  1.0 1.0
   29    33    40    48  -0.17800 -1.0 2.0
   29    33    40    48   0.20200  1.0 3.0
   33    38    42    43   2.45000 -1.0 2.0
   33    38    42    51   1.73850  1.0 1.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    47   0.15000  1.0 3.0
   33    40    48    49   0.15000  1.0 3.0
   33    40    48    50   0.15000  1.0 3.0
   33    40    48    54   0.56750  1.0 1.0
   33    40    48    54  -0.07550 -1.0 2.0
   33    40    48    54   0.20000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   34    33    40    48   0.15000  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    44  -0.95700  1.0 1.0
   38    33    40    44  -0.18200 -1.0 2.0
   38    33    40    44   0.29450  1.0 3.0
   38    33    40    48  -0.95700  1.0 1.0
   38    33    40    48  -0.18200 -1.0 2.0
   38    33    40    48   0.29450  1.0 3.0
   38    42    51    52   0.64800  1.0 1.0
   38    42    51    52   0.05750 -1.0 2.0
   38    42    51    52   0.28250  1.0 3.0
   38    42    51    53   0.64800  1.0 1.0
   38    42    51    53   0.05750 -1.0 2.0
   38    42    51    53   0.28250  1.0 3.0
   38    42    51    58   0.00000  1.0 1.0
   39    38    42    43   1.00000 -1.0 2.0
   39    38    42    51   2.45000 -1.0 2.0
   42    51    58    59   0.00000  1.0 1.0
   43    42    51    52   1.12100  1.0 1.0
   43    42    51    52   0.54800 -1.0 2.0
   43    42    51    52  -0.29400  1.0 3.0
   43    42    51    53   1.12100  1.0 1.0
   43    42    51    53   0.54800 -1.0 2.0
   43    42    51    53  -0.29400  1.0 3.0
   43    42    51    58   0.00000  1.0 1.0
   51    58    59    60   0.00000  1.0 1.0
   51    58    59    61   0.00000  1.0 1.0
   51    58    59    62   0.15000  1.0 3.0
   52    51    58    59   0.29800  1.0 3.0
   53    51    58    59   0.29800  1.0 3.0
   58    59    62    63   0.05050  1.0 1.0
   58    59    62    63  -1.30700 -1.0 2.0
   58    59    62    63   0.91550  1.0 3.0
   59    62    63    64   0.03000  1.0 3.0
   59    62    63    65   0.03000  1.0 3.0
   59    62    63    66  -2.65550  1.0 1.0
   59    62    63    66  -0.22350 -1.0 2.0
   59    62    63    66   0.24150  1.0 3.0
   60    59    62    63   0.00000  1.0 1.0
   61    59    62    63   0.00000  1.0 1.0
   62    63    66    67   0.23400  1.0 3.0
   62    63    66    68   0.62750  1.0 1.0
   62    63    66    68  -0.30950 -1.0 2.0
   62    63    66    68   0.27300  1.0 3.0
   62    63    66    79   1.11900  1.0 1.0
   62    63    66    79  -1.16350 -1.0 2.0
   62    63    66    79  -0.34150  1.0 3.0
   63    66    68    69   0.15000  1.0 3.0
   63    66    68    70   0.56750  1.0 1.0
   63    66    68    70  -0.07550 -1.0 2.0
   63    66    68    70   0.20000  1.0 3.0
   63    66    68    72   0.86500  1.0 1.0
   63    66    68    72  -0.17500 -1.0 2.0
   63    66    68    72   0.20800  1.0 3.0
   63    66    79    74   0.06250  1.0 1.0
   63    66    79    74  -0.01100 -1.0 2.0
   63    66    79    74   0.28050  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    79   0.23400  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    79   0.23400  1.0 3.0
   66    68    70    71   0.15000  1.0 3.0
   66    68   -70    74   3.97050  1.0 1.0
   66    68    70    76   0.86500  1.0 1.0
   66    68    70    76  -0.17500 -1.0 2.0
   66    68    70    76   0.20800  1.0 3.0
   66    68    72    73  -0.11600  1.0 1.0
   66    68    72    73  -0.09450 -1.0 2.0
   66    68    72    73   0.21250  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    72   0.23400  1.0 3.0
   67    66    79    74   0.37050  1.0 3.0
   68    66   -79    74   0.06250  1.0 1.0
   68    66   -79    74  -0.01100 -1.0 2.0
   68    66   -79    74   0.28050  1.0 3.0
   68    70    74    75   0.15000  1.0 3.0
   68    70    74    78  -0.64600  1.0 1.0
   68    70    74    78   0.58400 -1.0 2.0
   68    70   -74    79   0.62750  1.0 1.0
   68    70   -74    79  -0.30950 -1.0 2.0
   68    70   -74    79   0.27300  1.0 3.0
   68    70    76    77  -0.11600  1.0 1.0
   68    70    76    77  -0.09450 -1.0 2.0
   68    70    76    77   0.21250  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    74   0.15000  1.0 3.0
   69    68    70    76   0.23400  1.0 3.0
   69    68    72    73   0.19450  1.0 3.0
   70    68    72    73  -0.11600  1.0 1.0
   70    68    72    73  -0.09450 -1.0 2.0
   70    68    72    73   0.21250  1.0 3.0
   70    74    78    80   1.10250  1.0 1.0
   70    74    78    80   0.01650 -1.0 2.0
   70    74    78    80   0.39100  1.0 3.0
   70    74    78    92   1.10250  1.0 1.0
   70    74    78    92   0.01650 -1.0 2.0
   70    74    78    92   0.39100  1.0 3.0
   70    74   -79    66   0.06250  1.0 1.0
   70    74   -79    66  -0.01100 -1.0 2.0
   70    74   -79    66   0.28050  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    78   0.15000  1.0 3.0
   71    70    74    79   0.23400  1.0 3.0
   71    70    76    77   0.19450  1.0 3.0
   74    70    76    77  -0.11600  1.0 1.0
   74    70    76    77  -0.09450 -1.0 2.0
   74    70    76    77   0.21250  1.0 3.0
   74    78    80    81   3.62500 -1.0 2.0
   74    78    80    82   3.62500 -1.0 2.0
   74    78    92    83   0.81400  1.0 1.0
   74    78    92    83   1.55550 -1.0 2.0
   74    78    92    91   3.62500 -1.0 2.0
   75    74    78    80   0.00000  1.0 1.0
   75    74    78    92   0.00000  1.0 1.0
   75    74    79    66   0.37050  1.0 3.0
   78    74    79    66  -2.37750  1.0 1.0
   78    74    79    66  -0.08150 -1.0 2.0
   78    74    79    66   0.59000  1.0 3.0
   78    80   -82    83   3.62500 -1.0 2.0
   80    78   -92    83   0.70250  1.0 1.0
   80    78   -92    83   1.56150 -1.0 2.0
   80    78    92    91   3.62500 -1.0 2.0
   80    82    83    84   3.62500 -1.0 2.0
   80    82   -83    92   3.62500 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   82    83    84    85   3.62500 -1.0 2.0
   82    83    84    86   3.62500 -1.0 2.0
   82    83   -92    78   3.62500 -1.0 2.0
   82    83    92    91   3.62500 -1.0 2.0
   83    84    85    89   3.62500 -1.0 2.0
   83    84    86    87   0.70000 -1.0 2.0
   83    84    86    88   0.70000 -1.0 2.0
   84    83    92    78   3.00000 -1.0 2.0
   84    83    92    91   3.62500 -1.0 2.0
   84    85    89    90   3.62500 -1.0 2.0
   84    85   -89    91   3.62500 -1.0 2.0
   85    84    86    87   0.70000 -1.0 2.0
   85    84    86    88   0.70000 -1.0 2.0
   85    89    91    92   3.62500 -1.0 2.0
   89    91    92    78   3.62500 -1.0 2.0
   89    91   -92    83   3.62500 -1.0 2.0
   90    89    91    92   3.62500 -1.0 2.0
   92    78    80    81   3.62500 -1.0 2.0
   92    78   -80    82   3.62500 -1.0 2.0
   92    83   -84    85   3.62500 -1.0 2.0
   92    83    84    86   3.62500 -1.0 2.0
   86    84    85    89   3.62500 -1.0 2.0
   79    66    68    69   0.23400  1.0 3.0
   79    66   -68    70   0.62750  1.0 1.0
   79    66   -68    70  -0.30950 -1.0 2.0
   79    66   -68    70   0.27300  1.0 3.0
   79    66    68    72   3.69350  1.0 1.0
   79    66    68    72  -1.82950 -1.0 2.0
   79    74    78    80   0.10350  1.0 1.0
   79    74    78    80  -0.15350 -1.0 2.0
   79    74    78    92   0.10350  1.0 1.0
   79    74    78    92  -0.15350 -1.0 2.0
   76    70    74    75   0.23400  1.0 3.0
   76    70    74    78   2.76900  1.0 1.0
   76    70    74    78  -0.24350 -1.0 2.0
   76    70    74    78  -0.78250  1.0 3.0
   76    70    74    79   3.69350  1.0 1.0
   76    70    74    79  -1.82950 -1.0 2.0
   72    68    70    71   0.23400  1.0 3.0
   72    68    70    74   0.86500  1.0 1.0
   72    68    70    74  -0.17500 -1.0 2.0
   72    68    70    74   0.20800  1.0 3.0
   72    68    70    76   3.75450  1.0 1.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33    38    42   0.00000  1.0 1.0
   40    48    54    55   0.15000  1.0 3.0
   40    48    54    56   0.15000  1.0 3.0
   40    48    54    57   0.15000  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    40    48    49   0.15000  1.0 3.0
   41    40    48    50   0.15000  1.0 3.0
   41    40    48    54   0.15000  1.0 3.0
   44    40    48    49   0.15000  1.0 3.0
   44    40    48    50   0.15000  1.0 3.0
   44    40    48    54   0.56750  1.0 1.0
   44    40    48    54  -0.07550 -1.0 2.0
   44    40    48    54   0.20000  1.0 3.0
   48    40    44    45   0.15000  1.0 3.0
   48    40    44    46   0.15000  1.0 3.0
   48    40    44    47   0.15000  1.0 3.0
   49    48    54    55   0.15000  1.0 3.0
   49    48    54    56   0.15000  1.0 3.0
   49    48    54    57   0.15000  1.0 3.0
   50    48    54    55   0.15000  1.0 3.0
   50    48    54    56   0.15000  1.0 3.0
   50    48    54    57   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    42    38    39  10.50000 -1.0 2.0
   43    51    42    38   1.00000 -1.0 2.0
   80    92    78    74   4.00000 -1.0 2.0
   82    81    80    78   1.10000 -1.0 2.0
   84    92    83    82   4.00000 -1.0 2.0
   85    86    84    83   4.00000 -1.0 2.0
   91    90    89    85   1.10000 -1.0 2.0
   83    91    92    78   4.00000 -1.0 2.0
   88    84    86    87   1.00000 -1.0 2.0
END
