* LIGAND DATABASE FILE (OPLS2005)
*
001      79    79    136    206     403
    1     0 S   NP   _N1_     1    29.02149    93.69320   -22.86907
    2     1 S   H    _HN1     2     1.02825    24.45028   156.40813
    3     1 S   H    _H1_     3     1.02783    99.52843   -90.96499
    4     1 S   H    _H2_     4     1.02956    88.84956    17.43817
    5     1 S   CT   _CA1     5     1.50127   133.96239   135.10994
    6     5 S   HC   _HA1     6     1.09573   105.21532    68.46745
    7     5 S   CO3  _C1_     7     1.53788   112.41952   -51.76101
    8     7 S   O2Z  _O11     8     1.26370   115.01145   -43.03202
    9     7 S   O2Z  _O12     9     1.26241   114.94419   136.06839
   10     5 S   CT   _CB1    10     1.53048   107.37546  -173.59084
   11    10 S   HC   HB11    11     1.09833   109.33188   -50.10367
   12    10 S   HC   HB12    12     1.09827   110.44958    66.45363
   13    10 S   CT   _CG1    13     1.52998   112.66529  -171.14550
   14    13 S   HC   HG11    14     1.09585   110.54323   -64.73514
   15    13 S   HC   HG12    15     1.09657   109.95025    54.59176
   16    13 S   C    _CD1    16     1.51735   112.12740   174.90349
   17    16 S   O    _OE1    17     1.22712   123.18709     1.19747
   18    16 S   N    _N2_    18     1.38646   111.73508  -178.65288
   19    18 S   H    _HN2    19     1.01568   119.05210     2.38401
   20    18 S   CT1  _CA2    20     1.46163   123.21028   178.76251
   21    20 S   HC   _HA2    21     1.09506   108.91365     1.40792
   22    20 S   C    _C2_    22     1.53499   108.95717  -113.68137
   23    22 S   O    _O2_    23     1.23056   122.12902  -149.50584
   24    20 S   CT   _CB2    32     1.53542   111.62184   123.80302
   25    24 S   HC   HB21    33     1.09645   109.58878    61.55618
   26    24 S   HC   HB22    34     1.09549   111.19420   179.16961
   27    22 S   N    _N3_    24     1.38293   113.71976    37.55823
   28    27 S   H    _HN3    25     1.01558   119.43256    -1.10800
   29    24 S   S    _SG2    35     1.83064   113.77674   -57.73373
   30    27 S   CT   _CA3    26     1.45313   123.47855   177.12826
   31    30 S   HC   HA31    27     1.09513   107.23280   -77.36227
   32    30 S   HC   HA32    28     1.09551   108.50844    39.29106
   33    29 S   CT   _C11    36     1.83890    99.93971   -74.27589
   34    33 S   HC   _H3_    37     1.09439   107.34097    24.13385
   35    30 S   CO3  _C3_    29     1.53016   113.94443   161.83673
   36    35 S   O2Z  _O31    30     1.26397   116.11735     7.55982
   37    35 S   O2Z  _O32    31     1.26462   114.46189  -172.19541
   38    33 S   CA   _C7_    38     1.52076   110.19193   140.97207
   39    33 S   CT   _C12    54     1.53583   110.11453   -93.05457
   40    39 S   HC   _H15    55     1.09774   111.74378    44.95887
   41    39 S   HC   _H16    56     1.09572   113.45143   -75.02515
   42    38 S   CA   _C8_    39     1.40261   122.00489    67.51038
   43    42 S   HA   _H12    40     1.08707   120.64683    -0.18663
   44    39 S   CO4  _C13    57     1.51021   109.34404   164.04957
   45    44 S   O    _O35    58     1.22345   124.06640    87.35190
   46    42 S   CA   _C9_    41     1.39416   120.59148  -179.77532
   47    46 S   HA   _H13    42     1.08620   119.32125   179.86294
   48    44 S   OS   _O36    59     1.36153   109.29834   -88.86853
   49    46 S   CA   _C10    43     1.39440   119.73829    -0.05935
   50    48 S   CT   _C14    60     1.44796   117.86110   166.86787
   51    50 S   HC   _H4_    61     1.09856   109.73101    29.22720
   52    49 S   CA   _C5_    44     1.39840   121.06951    -0.03956
   53    49 S   OH   _O34    52     1.37026   119.82397   180.00000
   54    53 S   HO   _H14    53     0.97199   108.74272    -0.19180
   55    50 S   CO3  _C19    62     1.54281   107.82362   142.23220
   56    55 S   O2Z  _O43    63     1.26336   115.81972   154.03587
   57    55 S   O2Z  _O42    64     1.26532   115.52942   -28.51884
   58    50 S   CT   _C15    65     1.54261   108.06123   -89.86036
   59    58 S   HC   _H5_    66     1.09734   107.16382    49.14141
   60    38 S   CA   _C6_    45     1.40819   119.26611  -112.23349
   61    60 S   HA   _H11    46     1.08634   118.15143     0.02798
   62    52 S   OS   _O33    47     1.37067   116.18782  -179.92087
   63    58 S   CT   _C16    67     1.54768   115.25009   -70.85726
   64    63 S   HC   _H6_    68     1.09584   109.33964   -66.86031
   65    58 S   OH   _O41    78     1.42786   110.22938   164.95804
   66    65 S   HO   _H19    79     0.97197   107.62504   -53.71310
   67    62 S   CT   _C4_    48     1.42274   117.07422   177.61673
   68    67 S   HC   _H8_    49     1.09427   107.71777  -178.33893
   69    67 S   HC   _H9_    50     1.09460   111.11909    64.03119
   70    67 S   HC   _H10    51     1.09507   111.20831   -60.63764
   71    63 S   CT   _C17    69     1.53810   112.29029   172.79007
   72    71 S   HC   _H7_    70     1.09665   109.39421    56.10131
   73    63 S   OH   _O40    76     1.42813   109.67952    51.15399
   74    73 S   HO   _H18    77     0.97488   106.79313  -173.79787
   75    71 S   CO3  _C18    71     1.54189   115.85035   176.57269
   76    75 S   O2Z  _O38    72     1.26634   114.18005   173.88609
   77    75 S   O2Z  _O37    73     1.26185   116.43868    -6.37175
   78    71 S   OH   _O39    74     1.43271   109.74893   -61.29118
   79    78 S   HO   _H17    75     0.97433   106.83604  -170.29416
  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
  14   7   2   1   1  13   8   4   3   8   4   6   2   7   3   9
   7  12   7   9   3   1   6   2   1  11   6   3   1   4  12   7
   3   1   3   2   1   1   8   6   3   1   4   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    60    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    52    60    61    39    40    41    44    45    48  
   38    42    60    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    52    60    61    62    39    40    41    44  
   40    41    44    45    48    50    42    60  
   41    44    45    48  
   44    45    48  
   43    46    47    49    52    60    61    53  
   46    47    49    60  
   45    48    50    51    55    58  
   48    50  
   47    49    52    60    62    53    54  
   49    52    53  
   50    51    55    56    57    58    59    63    65  
   52    60    61    62    67    53    54  
   51    55    56    57    58    59    63    64    71    73    65    66  
   55    56    57    58    59    63    65  
   60    61    62    67    68    69    70    53    54  
   54    60    62  
    0  
   56    57    58    59    63    65  
   57    58  
   58  
   59    63    64    71    72    75    78    73    74    65    66  
   63    64    71    73    65    66  
   61    62    67  
   62  
   67    68    69    70  
   64    71    72    75    76    77    78    79    73    74    65    66  
   71    72    75    78    73    74    65  
   66    71    73  
    0  
   68    69    70  
   69    70  
   70  
    0  
   72    75    76    77    78    79    73    74  
   75    76    77    78    79    73  
   74    75    78  
    0  
   76    77    78    79  
   77    78  
   78  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   0.222500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.105000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    60   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    52   469.000  1.400
   49    53   450.000  1.364
   52    60   469.000  1.400
   52    62   450.000  1.364
   60    61   367.000  1.080
   62    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   53    54   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   214.000  1.327
   48    50   320.000  1.410
   50    51   340.000  1.090
   50    55   317.000  1.522
   50    58   268.000  1.529
   55    56   656.000  1.250
   55    57   656.000  1.250
   58    59   340.000  1.090
   58    63   268.000  1.529
   58    65   320.000  1.410
   63    64   340.000  1.090
   63    71   268.000  1.529
   63    73   320.000  1.410
   71    72   340.000  1.090
   71    75   317.000  1.522
   71    78   320.000  1.410
   75    76   656.000  1.250
   75    77   656.000  1.250
   78    79   553.000  0.945
   73    74   553.000  0.945
   65    66   553.000  0.945
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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    60    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    60    52    63.00000  120.00000
   38    60    61    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    52    63.00000  120.00000
   46    49    53    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    52    60    63.00000  120.00000
   49    52    62    70.00000  120.00000
   49    53    54    35.00000  113.00000
   52    60    61    35.00000  120.00000
   52    62    67    75.00000  111.00000
   60    38    42    63.00000  120.00000
   62    52    60    70.00000  120.00000
   62    67    68    35.00000  109.50000
   62    67    69    35.00000  109.50000
   62    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   53    49    52    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    81.00000  111.40000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    83.00000  116.90000
   48    44    45    83.00000  123.40000
   48    50    51    35.00000  109.50000
   48    50    55    85.00000  109.63000
   48    50    58    50.00000  109.50000
   50    55    56    70.00000  117.00000
   50    55    57    70.00000  117.00000
   50    58    59    37.50000  110.70000
   50    58    63    58.35000  112.70000
   50    58    65    50.00000  109.50000
   55    50    51    35.00000  109.50000
   57    55    56    80.00000  126.00000
   58    50    51    37.50000  110.70000
   58    50    55    70.00000  109.69300
   58    63    64    37.50000  110.70000
   58    63    71    58.35000  112.70000
   58    63    73    50.00000  109.50000
   58    65    66    55.00000  108.50000
   63    58    59    37.50000  110.70000
   63    71    72    37.50000  110.70000
   63    71    75    70.00000  109.69300
   63    71    78    50.00000  109.50000
   63    73    74    55.00000  108.50000
   71    63    64    37.50000  110.70000
   71    75    76    70.00000  117.00000
   71    75    77    70.00000  117.00000
   71    78    79    55.00000  108.50000
   75    71    72    35.00000  109.50000
   77    75    76    80.00000  126.00000
   78    71    72    35.00000  109.50000
   78    71    75    95.00000  109.52300
   73    63    64    35.00000  109.50000
   73    63    71    50.00000  109.50000
   65    58    59    35.00000  109.50000
   65    58    63    50.00000  109.50000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    60  -0.16000  1.0 1.0
   29    33    38    60  -0.03200 -1.0 2.0
   29    33    38    60   0.04500  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    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    60    52   3.62500 -1.0 2.0
   33    38    60    61   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.36750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    60   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    60    52   3.62500 -1.0 2.0
   42    38    60    61   3.62500 -1.0 2.0
   42    46   -49    52   3.62500 -1.0 2.0
   42    46    49    53   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    52    60   3.62500 -1.0 2.0
   46    49    52    62   3.62500 -1.0 2.0
   46    49    53    54   0.84100 -1.0 2.0
   47    46    49    52   3.62500 -1.0 2.0
   47    46    49    53   3.62500 -1.0 2.0
   49    52   -60    38   3.62500 -1.0 2.0
   49    52    60    61   3.62500 -1.0 2.0
   49    52    62    67   1.63200 -1.0 2.0
   52    49    53    54   0.84100 -1.0 2.0
   52    62    67    68   0.08050  1.0 3.0
   52    62    67    69   0.08050  1.0 3.0
   52    62    67    70   0.08050  1.0 3.0
   60    38    42    43   3.62500 -1.0 2.0
   60    38   -42    46   3.62500 -1.0 2.0
   60    52    62    67   1.63200 -1.0 2.0
   62    52    60    38   3.62500 -1.0 2.0
   62    52    60    61   3.62500 -1.0 2.0
   53    49    52    60   3.62500 -1.0 2.0
   53    49    52    62   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    60   0.04150 -1.0 2.0
   39    44    48    50   1.63150  1.0 1.0
   39    44    48    50   2.92000 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    50    51   0.08050  1.0 3.0
   44    48    50    55  -1.80650  1.0 1.0
   44    48    50    55   0.63900 -1.0 2.0
   44    48    50    55   0.03650  1.0 3.0
   44    48    50    58  -0.25900  1.0 1.0
   44    48    50    58  -0.47000 -1.0 2.0
   44    48    50    58   0.11750  1.0 3.0
   45    44    48    50   3.00000 -1.0 2.0
   48    50    55    56   0.30150 -1.0 2.0
   48    50    55    57   0.30150 -1.0 2.0
   48    50    58    59   0.23400  1.0 3.0
   48    50    58    63   0.62750  1.0 1.0
   48    50    58    63  -0.30950 -1.0 2.0
   48    50    58    63   0.27300  1.0 3.0
   48    50    58    65   3.69350  1.0 1.0
   48    50    58    65  -1.82950 -1.0 2.0
   50    58    63    64   0.15000  1.0 3.0
   50    58    63    71   0.56750  1.0 1.0
   50    58    63    71  -0.07550 -1.0 2.0
   50    58    63    71   0.20000  1.0 3.0
   50    58    63    73   0.86500  1.0 1.0
   50    58    63    73  -0.17500 -1.0 2.0
   50    58    63    73   0.20800  1.0 3.0
   50    58    65    66  -0.11600  1.0 1.0
   50    58    65    66  -0.09450 -1.0 2.0
   50    58    65    66   0.21250  1.0 3.0
   51    50    55    56   0.00000  1.0 1.0
   51    50    55    57   0.00000  1.0 1.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    63   0.15000  1.0 3.0
   51    50    58    65   0.23400  1.0 3.0
   55    50    58    59  -0.11250  1.0 3.0
   55    50    58    63  -1.63150  1.0 1.0
   55    50    58    63  -0.43550 -1.0 2.0
   55    50    58    63   0.24500  1.0 3.0
   55    50    58    65  -5.33000  1.0 1.0
   55    50    58    65  -0.54250 -1.0 2.0
   55    50    58    65  -0.07300  1.0 3.0
   58    50    55    56   0.41150 -1.0 2.0
   58    50    55    57   0.41150 -1.0 2.0
   58    63    71    72   0.15000  1.0 3.0
   58    63    71    75  -1.63150  1.0 1.0
   58    63    71    75  -0.43550 -1.0 2.0
   58    63    71    75   0.24500  1.0 3.0
   58    63    71    78   0.86500  1.0 1.0
   58    63    71    78  -0.17500 -1.0 2.0
   58    63    71    78   0.20800  1.0 3.0
   58    63    73    74  -0.11600  1.0 1.0
   58    63    73    74  -0.09450 -1.0 2.0
   58    63    73    74   0.21250  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    71   0.15000  1.0 3.0
   59    58    63    73   0.23400  1.0 3.0
   59    58    65    66   0.19450  1.0 3.0
   63    58    65    66  -0.11600  1.0 1.0
   63    58    65    66  -0.09450 -1.0 2.0
   63    58    65    66   0.21250  1.0 3.0
   63    71    75    76   0.41150 -1.0 2.0
   63    71    75    77   0.41150 -1.0 2.0
   63    71    78    79  -0.11600  1.0 1.0
   63    71    78    79  -0.09450 -1.0 2.0
   63    71    78    79   0.21250  1.0 3.0
   64    63    71    72   0.15000  1.0 3.0
   64    63    71    75  -0.11250  1.0 3.0
   64    63    71    78   0.23400  1.0 3.0
   64    63    73    74   0.19450  1.0 3.0
   71    63    73    74  -0.11600  1.0 1.0
   71    63    73    74  -0.09450 -1.0 2.0
   71    63    73    74   0.21250  1.0 3.0
   72    71    75    76   0.00000  1.0 1.0
   72    71    75    77   0.00000  1.0 1.0
   72    71    78    79   0.19450  1.0 3.0
   75    71    78    79   0.91850  1.0 1.0
   75    71    78    79   0.57950  1.0 3.0
   78    71    75    76   0.30150 -1.0 2.0
   78    71    75    77   0.30150 -1.0 2.0
   73    63    71    72   0.23400  1.0 3.0
   73    63    71    75  -5.33000  1.0 1.0
   73    63    71    75  -0.54250 -1.0 2.0
   73    63    71    75  -0.07300  1.0 3.0
   73    63    71    78   3.75450  1.0 1.0
   65    58    63    64   0.23400  1.0 3.0
   65    58    63    71   0.86500  1.0 1.0
   65    58    63    71  -0.17500 -1.0 2.0
   65    58    63    71   0.20800  1.0 3.0
   65    58    63    73   3.75450  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
   36    30    35    37  10.50000 -1.0 2.0
   42    60    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   52    53    49    46   4.00000 -1.0 2.0
   60    62    52    49   4.00000 -1.0 2.0
   52    61    60    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   56    50    55    57  10.50000 -1.0 2.0
   76    71    75    77  10.50000 -1.0 2.0
END
