* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    144    227     411
    1     0 S   NP   _N1_     1    28.95708    93.91441   -21.59523
    2     1 S   H    _HN1     2     1.02843    26.91888   162.26597
    3     1 S   H    _H1_     3     1.02786    91.08017   -67.96018
    4     1 S   H    _H2_     4     1.02953    93.60509    40.41857
    5     1 S   CT   _CA1     5     1.50088   137.63124   166.53992
    6     5 S   HC   _HA1     6     1.09474   105.19057    57.29096
    7     5 S   CO3  _C1_     7     1.53795   112.16221   -62.88438
    8     7 S   O2Z  _O11     8     1.26353   115.05661   -50.78042
    9     7 S   O2Z  _O12     9     1.26199   114.88423   128.35709
   10     5 S   CT   _CB1    10     1.53035   107.41257   175.01222
   11    10 S   HC   HB11    11     1.09819   109.42610   -51.63563
   12    10 S   HC   HB12    12     1.09831   110.35202    64.87104
   13    10 S   CT   _CG1    13     1.52968   112.69740  -172.82756
   14    13 S   HC   HG11    14     1.09487   110.27963   -58.67143
   15    13 S   HC   HG12    15     1.09534   110.31538    60.52037
   16    13 S   C    _CD1    16     1.51708   111.93716  -179.37006
   17    16 S   O    _OE1    17     1.22755   123.08330   -15.34459
   18    16 S   N    _N2_    18     1.38547   111.88173   165.27375
   19    18 S   H    _HN2    19     1.01590   119.07949     1.75781
   20    18 S   CT1  _CA2    20     1.46228   123.23298  -177.83843
   21    20 S   HC   _HA2    21     1.09745   109.49814   -15.71399
   22    20 S   C    _C2_    22     1.53128   107.17116  -131.26278
   23    22 S   O    _O2_    23     1.22955   122.78033  -135.47039
   24    20 S   CT   _CB2    32     1.53362   111.59918   106.50212
   25    24 S   HC   HB21    33     1.09517   109.79693    55.38454
   26    24 S   HC   HB22    34     1.09551   110.35348   173.68649
   27    22 S   N    _N3_    24     1.38512   112.93320    50.93548
   28    27 S   H    _HN3    25     1.01663   119.55900    -3.03203
   29    24 S   S    _SG2    35     1.82482   111.51397   -66.49469
   30    27 S   CT   _CA3    26     1.45296   122.83266   177.25455
   31    30 S   HC   HA31    27     1.09548   108.10647   -53.23595
   32    30 S   HC   HA32    28     1.09569   107.34138    63.09142
   33    29 S   CM   _C23    36     1.73235   100.57903   160.13518
   34    33 S   Cl   Cl1_    37     1.73471   117.54345    68.75342
   35    30 S   CO3  _C3_    29     1.52835   114.16045  -174.90522
   36    35 S   O2Z  _O31    30     1.26333   115.99819    15.12485
   37    35 S   O2Z  _O32    31     1.26417   114.50811  -164.81170
   38    33 S   CM   _C22    38     1.34512   122.99955  -113.39401
   39    38 S   HC   _H19    39     1.08857   117.17095  -177.33825
   40    38 S   C3T  _C6_    40     1.47273   127.57039     1.23226
   41    40 S   HC   _H3_    41     1.08861   111.96190   -61.76436
   42    40 S   C3T  _C7_    42     1.51370   121.89608    82.00704
   43    42 S   HC   _H4_    43     1.08946   114.14843  -141.59553
   44    40 S   C3T  _C5_    44     1.52121   122.28005   154.53547
   45    42 S   CO4  _C8_    53     1.48549   124.74068     2.88208
   46    45 S   O    _O33    54     1.22312   123.89877     8.61580
   47    44 S   CT   _C4_    45     1.51037   121.25521    -2.22458
   48    47 S   HC   _H5_    46     1.09537   110.01018  -153.73043
   49    47 S   HC   _H6_    47     1.09536   110.02745    87.35776
   50    47 S   HC   _H7_    48     1.09297   113.75406   -33.13660
   51    44 S   CT   _C24    49     1.51159   116.98229   142.33122
   52    51 S   HC   _H20    50     1.09500   110.30125   152.16567
   53    51 S   HC   _H21    51     1.09537   112.14384    32.01531
   54    51 S   HC   _H22    52     1.09496   110.30195   -88.06821
   55    45 S   OS   _O34    55     1.36293   110.55884  -171.87008
   56    55 S   CT   _C9_    56     1.43483   115.13659   179.64612
   57    56 S   HC   _H8_    57     1.09664   109.47440    53.05126
   58    56 S   HC   _H9_    58     1.09674   109.53891   -66.17608
   59    56 S   CA   _C10    59     1.50439   109.20757   174.12801
   60    59 S   CA   _C11    60     1.40141   120.52505  -120.38671
   61    60 S   HA   _H10    61     1.08729   120.46743     0.59512
   62    60 S   CA   _C12    62     1.39591   120.53913  -179.79347
   63    62 S   HA   _H11    63     1.08633   119.92450  -179.38866
   64    62 S   CA   _C13    64     1.39328   120.12089     0.50202
   65    64 S   HA   _H12    65     1.08650   119.73591  -179.67434
   66    64 S   CA   _C14    66     1.39512   119.83218     0.61707
   67    59 S   CA   _C15    67     1.40208   120.41176    60.26181
   68    67 S   HA   _H13    68     1.08669   119.40420    -1.91029
   69    66 S   OS   _O35    69     1.37756   116.59243  -178.45376
   70    69 S   CA   _C16    70     1.37655   117.75443  -140.17732
   71    70 S   CA   _C17    71     1.39812   122.75693    48.21943
   72    71 S   HA   _H14    72     1.08615   121.10949    -1.20982
   73    71 S   CA   _C18    73     1.39457   119.63408   178.49520
   74    73 S   HA   _H15    74     1.08650   119.99263   179.52729
   75    73 S   CA   _C19    75     1.39520   120.12767    -0.80406
   76    75 S   HA   _H16    76     1.08664   119.83410   179.86878
   77    75 S   CA   _C20    77     1.39469   120.11329    -0.54751
   78    77 S   HA   _H17    78     1.08605   119.95546  -179.36913
   79    70 S   CA   _C21    79     1.39606   116.88778  -135.37883
   80    79 S   HA   _H18    80     1.08638   120.31774     1.75803
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   5   5   4   3
   7   3   2   1   1   9   4  15   6  14   6  11   8   2   7   3
   2   1   3   2   1   1   6   9   4   3   9   8   4   6   3   6
   3   6   3   1   7   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44  
   38    39    40  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47    51    45  
   40    41    42    44  
   41    42    43    44    47    48    49    50    51    52    53    54    45    46    55  
   42    43    44    47    51    45  
   43    44    47    48    49    50    51    52    53    54    45    46    55    56  
   44    47    51    45    46    55  
   47    48    49    50    51    52    53    54    45    46    55  
   46    55    56    57    58    59    47    51  
   55    56  
   48    49    50    51    52    53    54  
   49    50    51  
   50    51  
   51  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    59    60    67  
   57    58    59    60    61    62    66    67    68  
   58    59    60    67  
   59    60    67  
   60    61    62    63    64    66    67    68    69  
   61    62    63    64    65    66    67    68  
   62    63    64    67  
   63    64    65    66    67    69  
   64    65    66  
   65    66    67    68    69    70  
   66    67    69  
   67    68    69    70    71    79  
   68    69    70  
   69  
   70    71    72    73    77    79    80  
   71    72    73    74    75    77    78    79    80  
   72    73    74    75    76    77    79    80  
   73    74    75    79  
   74    75    76    77    78    79  
   75    76    77  
   76    77    78    79    80  
   77    78    79  
   78    79    80  
   79    80  
   80  
    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  -0.175000   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   3.5500   0.0760   0.127500   2.0020   1.7750   0.023028004  -0.852763146
   34   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5000   0.0660   0.231800   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   2.9000   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   240.000  1.763
   33    34   300.000  1.725
   33    38   549.000  1.340
   38    39   340.000  1.080
   38    40   305.000  1.480
   40    41   340.000  1.088
   40    42   260.000  1.509
   40    44   260.000  1.509
   42    43   340.000  1.088
   42    44   260.000  1.509
   42    45   290.000  1.496
   44    47   275.000  1.510
   44    51   275.000  1.510
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   45    46   570.000  1.229
   45    55   214.000  1.327
   55    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   317.000  1.510
   59    60   469.000  1.400
   59    67   469.000  1.400
   60    61   367.000  1.080
   60    62   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   469.000  1.400
   66    69   450.000  1.364
   67    68   367.000  1.080
   69    70   450.000  1.364
   70    71   469.000  1.400
   70    79   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    75.00000  112.00000
   29    33    38    65.00000  122.11800
   33    38    39    35.00000  120.00000
   33    38    40    55.00000  125.06700
   38    33    34    75.00000  121.50000
   38    40    41    40.00000  112.45000
   38    40    42    60.00000  120.58800
   38    40    44    60.00000  120.58800
   40    38    39    40.00000  117.24000
   40    42    43    37.50000  117.20000
   40    42    44    10.00000   60.00500
   40    42    45    65.00000  117.18000
   40    44    42    10.00000   60.00500
   40    44    47    60.00000  120.94000
   40    44    51    60.00000  120.94000
   42    40    41    37.50000  117.20000
   42    44    47    60.00000  120.94000
   42    44    51    60.00000  120.94000
   42    45    46    75.00000  121.36600
   42    45    55    81.00000  111.40000
   44    40    41    37.50000  117.20000
   44    40    42    10.00000   60.00500
   44    42    43    37.50000  117.20000
   44    47    48    45.00000  109.38400
   44    47    49    45.00000  109.38400
   44    47    50    45.00000  109.38400
   44    51    52    45.00000  109.38400
   44    51    53    45.00000  109.38400
   44    51    54    45.00000  109.38400
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    44    47    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   45    42    43    40.00000  116.18000
   45    42    44    65.00000  117.18000
   45    55    56    83.00000  116.90000
   55    45    46    83.00000  123.40000
   55    56    57    35.00000  109.50000
   55    56    58    35.00000  109.50000
   55    56    59    85.00000  111.85700
   56    59    60    70.00000  120.00000
   56    59    67    70.00000  120.00000
   58    56    57    33.00000  107.80000
   59    56    57    35.00000  109.50000
   59    56    58    35.00000  109.50000
   59    60    61    35.00000  120.00000
   59    60    62    63.00000  120.00000
   59    67    66    63.00000  120.00000
   59    67    68    35.00000  120.00000
   60    62    63    35.00000  120.00000
   60    62    64    63.00000  120.00000
   62    60    61    35.00000  120.00000
   62    64    65    35.00000  120.00000
   62    64    66    63.00000  120.00000
   64    62    63    35.00000  120.00000
   64    66    67    63.00000  120.00000
   64    66    69    70.00000  120.00000
   66    64    65    35.00000  120.00000
   66    67    68    35.00000  120.00000
   66    69    70    85.00000  114.70000
   67    59    60    63.00000  120.00000
   69    66    67    70.00000  120.00000
   69    70    71    70.00000  120.00000
   69    70    79    70.00000  120.00000
   70    71    72    35.00000  120.00000
   70    71    73    63.00000  120.00000
   70    79    77    63.00000  120.00000
   70    79    80    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    35.00000  120.00000
   79    70    71    63.00000  120.00000
   79    77    78    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.00000  1.0 1.0
   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   1.00000 -1.0 2.0
   24    29    33    38   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   7.00000 -1.0 2.0
   29    33    38    40   7.00000 -1.0 2.0
   33    38    40    41   0.00000  1.0 1.0
   33    38    40    42   0.09850  1.0 1.0
   33    38    40    42   0.15250 -1.0 2.0
   33    38    40    42  -0.50650  1.0 3.0
   33    38    40    44   0.09850  1.0 1.0
   33    38    40    44   0.15250 -1.0 2.0
   33    38    40    44  -0.50650  1.0 3.0
   34    33    38    39   7.00000 -1.0 2.0
   34    33    38    40   7.00000 -1.0 2.0
   38    40    42    43   0.15000  1.0 3.0
   38    40   -42    44   0.34400  1.0 1.0
   38    40   -42    44   0.09450 -1.0 2.0
   38    40   -42    44   0.11100  1.0 3.0
   38    40    42    45  -0.98800  1.0 1.0
   38    40    42    45   0.48800 -1.0 2.0
   38    40    42    45   0.76800  1.0 3.0
   38    40   -44    42   0.34400  1.0 1.0
   38    40   -44    42   0.09450 -1.0 2.0
   38    40   -44    42   0.11100  1.0 3.0
   38    40    44    47   0.34400  1.0 1.0
   38    40    44    47   0.09450 -1.0 2.0
   38    40    44    47   0.11100  1.0 3.0
   38    40    44    51   0.34400  1.0 1.0
   38    40    44    51   0.09450 -1.0 2.0
   38    40    44    51   0.11100  1.0 3.0
   39    38    40    41   0.33100  1.0 3.0
   39    38    40    42   0.00000  1.0 1.0
   39    38    40    44   0.00000  1.0 1.0
   40    42   -44    47   0.07850  1.0 1.0
   40    42   -44    47  -0.03950 -1.0 2.0
   40    42   -44    47   0.67350  1.0 3.0
   40    42   -44    51   0.07850  1.0 1.0
   40    42   -44    51  -0.03950 -1.0 2.0
   40    42   -44    51   0.67350  1.0 3.0
   40    42    45    46   0.30150 -1.0 2.0
   40    42    45    55   0.36750  1.0 3.0
   40    44    47    48   0.15000  1.0 3.0
   40    44    47    49   0.15000  1.0 3.0
   40    44    47    50   0.15000  1.0 3.0
   40    44    51    52   0.15000  1.0 3.0
   40    44    51    53   0.15000  1.0 3.0
   40    44    51    54   0.15000  1.0 3.0
   41    40    42    43   0.15000  1.0 3.0
   41    40   -42    44   0.15000  1.0 3.0
   41    40    42    45   0.15000  1.0 3.0
   41    40   -44    42   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    40    44    51   0.15000  1.0 3.0
   42    40   -44    47   0.07850  1.0 1.0
   42    40   -44    47  -0.03950 -1.0 2.0
   42    40   -44    47   0.67350  1.0 3.0
   42    40   -44    51   0.07850  1.0 1.0
   42    40   -44    51  -0.03950 -1.0 2.0
   42    40   -44    51   0.67350  1.0 3.0
   42    44    47    48   0.15000  1.0 3.0
   42    44    47    49   0.15000  1.0 3.0
   42    44    47    50   0.15000  1.0 3.0
   42    44    51    52   0.15000  1.0 3.0
   42    44    51    53   0.15000  1.0 3.0
   42    44    51    54   0.15000  1.0 3.0
   42    45    55    56   1.63150  1.0 1.0
   42    45    55    56   2.92000 -1.0 2.0
   43    42   -44    40   0.15000  1.0 3.0
   43    42    44    47   0.15000  1.0 3.0
   43    42    44    51   0.15000  1.0 3.0
   43    42    45    46   0.50000  1.0 3.0
   43    42    45    55   0.00000  1.0 1.0
   44    40   -42    43   0.15000  1.0 3.0
   44    40   -42    45  -0.95700  1.0 1.0
   44    40   -42    45  -0.18200 -1.0 2.0
   44    40   -42    45   0.29450  1.0 3.0
   44    42    45    46   0.30150 -1.0 2.0
   44    42    45    55   0.36750  1.0 3.0
   47    44    51    52   0.15000  1.0 3.0
   47    44    51    53   0.15000  1.0 3.0
   47    44    51    54   0.15000  1.0 3.0
   51    44    47    48   0.15000  1.0 3.0
   51    44    47    49   0.15000  1.0 3.0
   51    44    47    50   0.15000  1.0 3.0
   45    42   -44    40  -0.95700  1.0 1.0
   45    42   -44    40  -0.18200 -1.0 2.0
   45    42   -44    40   0.29450  1.0 3.0
   45    42    44    47  -0.95700  1.0 1.0
   45    42    44    47  -0.18200 -1.0 2.0
   45    42    44    47   0.29450  1.0 3.0
   45    42    44    51  -0.95700  1.0 1.0
   45    42    44    51  -0.18200 -1.0 2.0
   45    42    44    51   0.29450  1.0 3.0
   45    55    56    57   0.08050  1.0 3.0
   45    55    56    58   0.08050  1.0 3.0
   45    55    56    59  -0.43900 -1.0 2.0
   45    55    56    59   0.14100  1.0 3.0
   46    45    55    56   3.00000 -1.0 2.0
   55    56    59    60   0.64500  1.0 1.0
   55    56    59    60   0.14800 -1.0 2.0
   55    56    59    60   0.20650  1.0 3.0
   55    56    59    67   0.64500  1.0 1.0
   55    56    59    67   0.14800 -1.0 2.0
   55    56    59    67   0.20650  1.0 3.0
   56    59    60    61   3.62500 -1.0 2.0
   56    59    60    62   3.62500 -1.0 2.0
   56    59    67    66   3.62500 -1.0 2.0
   56    59    67    68   3.62500 -1.0 2.0
   57    56    59    60   0.00000  1.0 1.0
   57    56    59    67   0.00000  1.0 1.0
   58    56    59    60   0.00000  1.0 1.0
   58    56    59    67   0.00000  1.0 1.0
   59    60    62    63   3.62500 -1.0 2.0
   59    60    62    64   3.62500 -1.0 2.0
   60    59    67    66   3.62500 -1.0 2.0
   60    59    67    68   3.62500 -1.0 2.0
   60    62    64    65   3.62500 -1.0 2.0
   60    62   -64    66   3.62500 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   61    60    62    64   3.62500 -1.0 2.0
   62    64    66    67   3.62500 -1.0 2.0
   62    64    66    69   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   63    62    64    66   3.62500 -1.0 2.0
   64    66   -67    59   3.62500 -1.0 2.0
   64    66    67    68   3.62500 -1.0 2.0
   64    66    69    70   0.47150 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    69   3.62500 -1.0 2.0
   66    69    70    71   0.47150 -1.0 2.0
   66    69    70    79   0.47150 -1.0 2.0
   67    59    60    61   3.62500 -1.0 2.0
   67    59   -60    62   3.62500 -1.0 2.0
   67    66    69    70   0.47150 -1.0 2.0
   69    66    67    59   3.62500 -1.0 2.0
   69    66    67    68   3.62500 -1.0 2.0
   69    70    71    72   3.62500 -1.0 2.0
   69    70    71    73   3.62500 -1.0 2.0
   69    70    79    77   3.62500 -1.0 2.0
   69    70    79    80   3.62500 -1.0 2.0
   70    71    73    74   3.62500 -1.0 2.0
   70    71    73    75   3.62500 -1.0 2.0
   71    70    79    77   3.62500 -1.0 2.0
   71    70    79    80   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73   -75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   73    75    77    79   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77   -79    70   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   78    77    79    70   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   79    70    71    72   3.62500 -1.0 2.0
   79    70   -71    73   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   29    34    33    38  15.00000 -1.0 2.0
   40    39    38    33  15.00000 -1.0 2.0
   42    55    45    46  10.50000 -1.0 2.0
   60    67    59    56   4.00000 -1.0 2.0
   62    61    60    59   1.10000 -1.0 2.0
   64    63    62    60   1.10000 -1.0 2.0
   66    65    64    62   1.10000 -1.0 2.0
   67    69    66    64   4.00000 -1.0 2.0
   66    68    67    59   1.10000 -1.0 2.0
   71    79    70    69   4.00000 -1.0 2.0
   73    72    71    70   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   77    80    79    70   1.10000 -1.0 2.0
END
