* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    142    221     406
    1     0 S   NP   _N1_     1    29.14559    93.29624   -26.21782
    2     1 S   H    _HN1     2     1.02795   119.36768  -108.94518
    3     1 S   H    _H1_     3     1.02948    92.08568     3.54370
    4     1 S   H    _H2_     4     1.02826    16.05372  -156.01028
    5     1 S   CT   _CA1     5     1.50137   112.38695   116.65224
    6     5 S   HC   _HA1     6     1.09573   105.15999    76.43478
    7     5 S   CO3  _C1_     7     1.53767   112.45773   -43.78475
    8     7 S   O2Z  _O11     8     1.26380   114.99915   -42.31874
    9     7 S   O2Z  _O12     9     1.26232   114.94574   136.67688
   10     5 S   CT   _CB1    10     1.53056   107.40510  -165.57602
   11    10 S   HC   HB11    11     1.09843   109.34205   -49.12065
   12    10 S   HC   HB12    12     1.09811   110.46669    67.47087
   13    10 S   CT   _CG1    13     1.53033   112.65620  -170.04078
   14    13 S   HC   HG11    14     1.09566   110.75770   -67.38635
   15    13 S   HC   HG12    15     1.09668   109.68750    51.87642
   16    13 S   C    _CD1    16     1.51814   111.91901   172.38841
   17    16 S   O    _OE1    17     1.22766   123.14641    13.51756
   18    16 S   N    _N2_    18     1.38644   111.89560  -166.56452
   19    18 S   H    _HN2    19     1.01591   119.01688     0.96022
   20    18 S   CT1  _CA2    20     1.46221   123.33637   176.48459
   21    20 S   HC   _HA2    21     1.09742   109.26351     7.88018
   22    20 S   C    _C2_    22     1.53709   108.97367  -107.64038
   23    22 S   O    _O2_    23     1.23091   122.16874  -149.70853
   24    20 S   CT   _CB2    32     1.53526   111.69192   129.83826
   25    24 S   HC   HB21    33     1.09471   109.36525    56.68971
   26    24 S   HC   HB22    34     1.09298   109.60644   175.51743
   27    22 S   N    _N3_    24     1.38292   113.93886    37.81029
   28    27 S   H    _HN3    25     1.01538   119.62973    -3.27698
   29    24 S   S    _SG2    35     1.82876   111.17630   -63.86253
   30    27 S   CT   _CA3    26     1.45283   123.29212   177.23091
   31    30 S   HC   HA31    27     1.09547   107.51935   -64.79500
   32    30 S   HC   HA32    28     1.09556   107.99243    51.66665
   33    29 S   CT   _C14    36     1.87863   102.78868  -171.97801
   34    30 S   CO3  _C3_    29     1.52979   114.03244   173.67498
   35    34 S   O2Z  _O31    30     1.26386   116.07732     0.03956
   36    34 S   O2Z  _O32    31     1.26424   114.41974  -179.91153
   37    33 S   CT   _C12    37     1.55786   106.65263    72.48603
   38    37 S   HC   _H8_    38     1.09495   111.23681   -65.52979
   39    37 S   HC   _H9_    39     1.09598   111.23684    53.26128
   40    33 S   CT   _C17    68     1.55786   105.07456  -169.00560
   41    40 S   HC   _H16    69     1.09474   111.13472   171.80343
   42    40 S   HC   _H17    70     1.09573   111.69895    51.82472
   43    37 S   S    _S2_    40     1.82781   114.41208   174.02250
   44    40 S   OS   _O4_    71     1.44301   110.64789   -69.13621
   45    43 S   C4T  _C13    41     1.83426    97.52108    56.13303
   46    45 S   HC   _H10    42     1.09429   114.49947    83.45247
   47    44 S   CO4  _C11    72     1.36194   115.81529   177.38783
   48    47 S   O    _O3_    73     1.22317   126.39282    -0.98972
   49    45 S   C4T  _C4_    43     1.55824   114.62649  -140.72215
   50    49 S   HC   _H4_    44     1.09665   113.56498  -144.28782
   51    45 S   N4   _N5_    47     1.46001   110.33009   -44.88713
   52    47 S   CT   _C15    74     1.49799   109.53305   178.71854
   53    52 S   HC   _H11    75     1.09293   109.79157   -61.29655
   54    52 S   HC   _H12    76     1.09380   109.35014   179.68847
   55    52 S   HC   _H13    77     1.09286   109.85189    60.62645
   56    49 S   C4   _C5_    45     1.55089    84.96324   103.05684
   57    56 S   O    _O1_    46     1.20902   136.39607  -170.14308
   58    33 S   CT1  _C18    48     1.55695   112.23118   -46.94098
   59    58 S   HC   _H18    49     1.09963   106.69032    63.26828
   60    49 S   N    _N4_    53     1.47666   116.89977   -12.30950
   61    60 S   H    _H3_    54     1.01752   118.88251    -3.91497
   62    58 S   CO3  _C19    50     1.54836   121.58941   -54.76455
   63    62 S   O2Z  _O5_    51     1.26668   114.28121   161.58764
   64    62 S   O2Z  _O6_    52     1.25998   116.73589   -17.81638
   65    60 S   C    _C10    55     1.38515   122.97276   172.06902
   66    65 S   O    _O33    56     1.22871   124.85464     3.24087
   67    65 S   CT   _C16    57     1.51403   112.98591  -175.75878
   68    67 S   HC   _H14    58     1.09604   110.16018   -37.79830
   69    67 S   HC   _H15    59     1.09622   108.43794  -154.34164
   70    67 S   C5A  _C9_    60     1.49572   108.93523    85.42908
   71    70 S   C5B  _C7_    61     1.38089   128.12375    83.62470
   72    71 S   HA   _H6_    62     1.08294   123.36509    -0.05595
   73    71 S   C5B  _C6_    63     1.42434   112.38321  -179.66780
   74    73 S   HA   _H5_    64     1.08231   124.60565   179.68348
   75    73 S   C5A  _C8_    65     1.37639   112.01219    -0.20842
   76    75 S   HA   _H7_    66     1.08095   127.60710   179.82641
   77    70 S   SA   _S1_    67     1.71546   120.42273   -96.26680
  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  13   5   4   3
  17   2   1   1  14   5   4  11   4   3   8   7  12   6   5   4
  10   6   8   3   2   1   1   7   2   4   3   7   3   2   1   1
   7   4   8   4   3   7   6   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    58    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    51    58    59    62    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    56    51    58    59    62    63    64    40    41    42    44    47  
   35    36  
   36  
    0  
   38    39    43    45    46    49    51    58    59    62    40    41    42    44  
   39    43    45    58    40  
   43    45    58    40  
   41    42    44    47    48    52    43    51    58    59    62  
   42    44    47    58  
   44    47    58  
   45    46    49    50    56    51    58    60  
   47    48    52    53    54    55    58  
   46    49    50    56    57    51    58    59    62    60    61    65  
   49    50    56    51    58    60  
   48    52    53    54    55  
   52    53    54    55  
   50    56    57    51    58    60    61    65    66    67  
   56    57    51    60    61    65  
   58    59    62    63    64    60    56    57  
   53    54    55  
   54    55  
   55  
    0  
   57    58    59    62    60    61    65  
   58    60  
   59    62    63    64  
   62    63    64  
   61    65    66    67    68    69    70  
   65    66    67  
   63    64  
   64  
    0  
   66    67    68    69    70    71    77  
   67    68    69    70  
   68    69    70    71    72    73    75    77  
   69    70    71    77  
   70    71    77  
   71    72    73    74    75    76    77  
   72    73    74    75    76    77  
   73    74    75    77  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   58   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   61   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   62   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   65   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   67   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.178700   2.0020   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.073800   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.121100   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.073800   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.121100   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.325500   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.261800   1.3810   1.2100   0.030040813   0.268726247
   77   3.5600   0.3950   0.032800   2.0080   1.7800   0.025682759  -1.666211680
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    58   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    45   200.000  1.824
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    51   305.000  1.456
   49    50   340.000  1.090
   49    56   250.000  1.540
   49    60   337.000  1.449
   56    57   930.000  1.212
   56    51   440.000  1.369
   51    58   337.000  1.449
   58    59   340.000  1.090
   58    62   317.000  1.522
   62    63   656.000  1.250
   62    64   656.000  1.250
   60    61   434.000  1.010
   60    65   490.000  1.335
   65    66   570.000  1.229
   65    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   295.000  1.489
   70    71   520.000  1.370
   70    77   265.000  1.745
   71    72   367.000  1.080
   71    73   400.000  1.425
   73    74   367.000  1.080
   73    75   520.000  1.370
   75    76   367.000  1.080
   75    77   265.000  1.745
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   320.000  1.410
   44    47   214.000  1.327
   47    48   570.000  1.229
   47    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    58    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    58    51    80.00000  109.70000
   33    58    59    37.50000  110.70000
   33    58    62    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    50.00000  109.50000
   37    43    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    45.00000  109.41400
   43    45    49    65.00000  119.05700
   43    45    51    80.00000  108.62000
   45    49    50    37.50000  110.70000
   45    49    56   100.00000   86.36000
   45    49    60    80.00000  110.05700
   45    51    56   100.00000   93.00000
   45    51    58    50.00000  132.70000
   49    45    46    37.50000  110.70000
   49    56    57    60.00000  136.58000
   49    56    51    95.00000   92.72400
   49    60    61    38.00000  118.40000
   49    60    65    50.00000  121.90000
   56    49    50    40.00000  113.37500
   56    51    58    50.00000  132.10000
   51    45    46    50.00000  112.01000
   51    45    49   105.00000   87.49700
   51    56    57    75.00000  131.60000
   51    58    59    35.00000  109.50000
   51    58    62    63.00000  110.10000
   58    33    37    58.35000  112.70000
   58    62    63    70.00000  117.00000
   58    62    64    70.00000  117.00000
   62    58    59    35.00000  109.50000
   64    62    63    80.00000  126.00000
   60    49    50    50.00000  112.01000
   60    49    56    75.00000  110.24000
   60    65    66    80.00000  122.90000
   60    65    67    70.00000  116.60000
   65    60    61    35.00000  119.80000
   65    67    68    35.00000  109.50000
   65    67    69    35.00000  109.50000
   65    67    70    70.00000  110.34000
   67    65    66    80.00000  120.40000
   67    70    71    55.00000  130.44200
   67    70    77    65.00000  123.52500
   69    67    68    33.00000  107.80000
   70    67    68    45.00000  110.47400
   70    67    69    45.00000  110.47400
   70    71    72    35.00000  128.20000
   70    71    73    75.00000  112.39000
   70    77    75   110.00000   90.41100
   71    73    74    35.00000  125.69000
   71    73    75    75.00000  112.39000
   73    71    72    35.00000  125.69000
   73    75    76    35.00000  130.70000
   73    75    77    80.00000  111.29200
   75    73    74    35.00000  128.20000
   77    70    71    80.00000  111.29200
   77    75    76    40.00000  122.38200
   40    33    37    58.35000  112.70000
   40    33    58    58.35000  112.70000
   40    44    47    83.00000  116.90000
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    47    48    83.00000  123.40000
   44    47    52    81.00000  111.40000
   47    52    53    35.00000  109.50000
   47    52    54    35.00000  109.50000
   47    52    55    35.00000  109.50000
   52    47    48    80.00000  120.40000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    58    51   0.71400  1.0 1.0
   29    33    58    51   0.04300 -1.0 2.0
   29    33    58    51   0.01450  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    62  -2.17200  1.0 1.0
   29    33    58    62  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    43    45  -0.25000 -1.0 2.0
   33    37    43    45  -0.01800  1.0 3.0
   33    58    62    63   0.00000  1.0 1.0
   33    58    62    64   0.00000  1.0 1.0
   33    40    44    47  -0.25900  1.0 1.0
   33    40    44    47  -0.47000 -1.0 2.0
   33    40    44    47   0.11750  1.0 3.0
   37    33    58    51   0.42250  1.0 1.0
   37    33    58    51  -0.48100 -1.0 2.0
   37    33    58    51   0.35650  1.0 3.0
   37    33    58    59   0.15000  1.0 3.0
   37    33    58    62  -0.84850  1.0 1.0
   37    33    58    62  -0.22800 -1.0 2.0
   37    33    58    62   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   0.62750  1.0 1.0
   37    33    40    44  -0.30950 -1.0 2.0
   37    33    40    44   0.27300  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    49   0.25150  1.0 1.0
   37    43    45    49  -1.17200 -1.0 2.0
   37    43    45    49   0.53050  1.0 3.0
   37    43   -45    51   0.01700  1.0 1.0
   37    43   -45    51  -0.23550 -1.0 2.0
   37    43   -45    51   0.21350  1.0 3.0
   38    37    43    45   0.32350  1.0 3.0
   39    37    43    45   0.32350  1.0 3.0
   43    45    49    50   0.00000  1.0 1.0
   43    45    49    56   0.00000  1.0 1.0
   43    45    49    60   0.00000  1.0 1.0
   43    45   -51    56   0.00000  1.0 1.0
   43    45    51    58   0.00000  1.0 1.0
   45    49    56    57  -0.11250  1.0 1.0
   45    49    56    57   0.11400 -1.0 2.0
   45    49    56    57  -0.28950  1.0 3.0
   45    49   -56    51   3.00000 -1.0 2.0
   45    49    60    61   0.00000  1.0 1.0
   45    49    60    65  -0.43950  1.0 1.0
   45    49    60    65  -0.08100 -1.0 2.0
   45    49    60    65   0.03350  1.0 3.0
   45    51   -58    33   0.00000  1.0 1.0
   45    51    58    59   0.00000  1.0 1.0
   45    51    58    62   0.00000  1.0 1.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    56   0.15000  1.0 3.0
   46    45    49    60   0.15000  1.0 3.0
   46    45   -51    56   0.00000  1.0 1.0
   46    45    51    58   0.00000  1.0 1.0
   49    45   -51    56   0.00000  1.0 1.0
   49    45    51    58   0.00000  1.0 1.0
   49    56   -51    45   3.00000 -1.0 2.0
   49    56   -51    58   3.00000 -1.0 2.0
   49    60    65    66   3.04450 -1.0 2.0
   49    60    65    67   1.49850  1.0 1.0
   49    60    65    67   1.53950 -1.0 2.0
   50    49    56    57   0.00000  1.0 1.0
   50    49    56    51   0.00000  1.0 1.0
   50    49    60    61   0.00000  1.0 1.0
   50    49    60    65   0.00000  1.0 1.0
   56    49    60    61   0.00000  1.0 1.0
   56    49    60    65  -0.42300  1.0 1.0
   56    49    60    65  -0.07000 -1.0 2.0
   56    49    60    65   0.04150  1.0 3.0
   56    51    58    33   0.00000  1.0 1.0
   56    51    58    59   0.00000  1.0 1.0
   56    51    58    62   0.00000  1.0 1.0
   57    56   -51    45   3.00000 -1.0 2.0
   57    56    51    58   3.00000 -1.0 2.0
   51    45   -49    50   0.15000  1.0 3.0
   51    45   -49    56   3.00000 -1.0 2.0
   51    45    49    60   2.20050  1.0 1.0
   51    45    49    60   0.63450 -1.0 2.0
   51    45    49    60  -0.91300  1.0 3.0
   51    58    62    63   0.00000  1.0 1.0
   51    58    62    64   0.00000  1.0 1.0
   58    33    37    38   0.15000  1.0 3.0
   58    33    37    39   0.15000  1.0 3.0
   58    33   -37    43   0.44750  1.0 1.0
   58    33   -37    43  -0.17800 -1.0 2.0
   58    33   -37    43   0.20200  1.0 3.0
   58    33    40    41   0.15000  1.0 3.0
   58    33    40    42   0.15000  1.0 3.0
   58    33    40    44   0.62750  1.0 1.0
   58    33    40    44  -0.30950 -1.0 2.0
   58    33    40    44   0.27300  1.0 3.0
   59    58    62    63   0.00000  1.0 1.0
   59    58    62    64   0.00000  1.0 1.0
   60    49    56    57   0.30150 -1.0 2.0
   60    49   -56    51   0.00000  1.0 1.0
   60    65    67    68   0.00000  1.0 1.0
   60    65    67    69   0.00000  1.0 1.0
   60    65    67    70   0.00000  1.0 1.0
   61    60    65    66   2.45000 -1.0 2.0
   61    60    65    67   2.45000 -1.0 2.0
   65    67    70    71   0.04300 -1.0 2.0
   65    67    70    77   0.04300 -1.0 2.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    69   0.00000  1.0 1.0
   66    65    67    70   0.30150 -1.0 2.0
   67    70    71    72   3.62500 -1.0 2.0
   67    70    71    73   3.62500 -1.0 2.0
   67    70    77    75   3.62500 -1.0 2.0
   68    67    70    71   0.00000  1.0 1.0
   68    67    70    77   0.00000  1.0 1.0
   69    67    70    71   0.00000  1.0 1.0
   69    67    70    77   0.00000  1.0 1.0
   70    71    73    74   3.62500 -1.0 2.0
   70    71   -73    75   3.62500 -1.0 2.0
   71    70   -77    75   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    70   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
   76    75    77    70   3.62500 -1.0 2.0
   77    70    71    72   3.62500 -1.0 2.0
   77    70   -71    73   3.62500 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    58    51   0.42250  1.0 1.0
   40    33    58    51  -0.48100 -1.0 2.0
   40    33    58    51   0.35650  1.0 3.0
   40    33    58    59   0.15000  1.0 3.0
   40    33    58    62  -0.84850  1.0 1.0
   40    33    58    62  -0.22800 -1.0 2.0
   40    33    58    62   0.29250  1.0 3.0
   40    44    47    48   3.00000 -1.0 2.0
   40    44    47    52   1.63150  1.0 1.0
   40    44    47    52   2.92000 -1.0 2.0
   41    40    44    47   0.08050  1.0 3.0
   42    40    44    47   0.08050  1.0 3.0
   44    47    52    53   0.00000  1.0 1.0
   44    47    52    54   0.00000  1.0 1.0
   44    47    52    55   0.00000  1.0 1.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    52    54   0.00000  1.0 1.0
   48    47    52    55   0.00000  1.0 1.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   49    51    56    57  10.50000 -1.0 2.0
   58    56    51    45   1.00000 -1.0 2.0
   63    58    62    64  10.50000 -1.0 2.0
   61    65    60    49   1.00000 -1.0 2.0
   60    67    65    66  10.50000 -1.0 2.0
   71    77    70    67   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
   44    52    47    48  10.50000 -1.0 2.0
END
