* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    141    210     406
    1     0 S   NP   _N1_     1    28.96776    94.72096   -23.95001
    2     1 S   H    _HN1     2     1.02829    30.60177  -176.83659
    3     1 S   H    _H1_     3     1.02781   108.48751   -82.77081
    4     1 S   H    _H2_     4     1.02952    78.23548    22.86788
    5     1 S   CT   _CA1     5     1.50114   132.27162   129.83159
    6     5 S   HC   _HA1     6     1.09574   105.20956    85.09462
    7     5 S   CO3  _C1_     7     1.53789   112.41123   -35.13574
    8     7 S   O2Z  _O11     8     1.26369   114.99979   -43.47208
    9     7 S   O2Z  _O12     9     1.26239   114.94279   135.64905
   10     5 S   CT   _CB1    10     1.53085   107.41930  -156.95243
   11    10 S   HC   HB11    11     1.09830   109.36651   -50.08161
   12    10 S   HC   HB12    12     1.09815   110.44938    66.51539
   13    10 S   CT   _CG1    13     1.52987   112.60660  -171.09073
   14    13 S   HC   HG11    14     1.09588   110.57125   -65.02084
   15    13 S   HC   HG12    15     1.09667   109.84982    54.20959
   16    13 S   C    _CD1    16     1.51795   112.27056   174.62531
   17    16 S   O    _OE1    17     1.22739   123.30444     4.23901
   18    16 S   N    _N2_    18     1.38675   111.63811  -175.84895
   19    18 S   H    _HN2    19     1.01585   119.01496     1.33998
   20    18 S   CT1  _CA2    20     1.46135   123.27118   178.08777
   21    20 S   HC   _HA2    21     1.09749   109.28261    -2.00526
   22    20 S   C    _C2_    22     1.53470   108.56740  -117.38321
   23    22 S   O    _O2_    23     1.23045   122.31895  -148.02948
   24    20 S   CT   _CB2    32     1.53393   111.86346   119.87295
   25    24 S   HC   HB21    33     1.09576   110.36538    57.71346
   26    24 S   HC   HB22    34     1.09378   109.58611   176.67022
   27    22 S   N    _N3_    24     1.38342   113.59373    39.44965
   28    27 S   H    _HN3    25     1.01612   119.53792    -3.54011
   29    24 S   S    _SG2    35     1.82670   111.39456   -62.94627
   30    27 S   CT   _CA3    26     1.45286   123.18042   177.01037
   31    30 S   HC   HA31    27     1.09551   107.53267   -63.85987
   32    30 S   HC   HA32    28     1.09557   107.95078    52.56275
   33    29 S   CT   _C6_    36     1.83907   100.21067  -176.24282
   34    33 S   HC   _H4_    37     1.09693   107.26757   -40.58942
   35    30 S   CO3  _C3_    29     1.52948   114.10016   174.54573
   36    35 S   O2Z  _O31    30     1.26373   116.05710    -0.56441
   37    35 S   O2Z  _O32    31     1.26428   114.41381   179.49024
   38    33 S   CT   _C7_    38     1.53042   109.71640    76.15031
   39    38 S   HC   _H10    39     1.09452   112.49223    54.66623
   40    38 S   HC   _H11    40     1.09467   111.47097   -66.35569
   41    38 S   HC   _H12    41     1.09565   110.50454   175.23219
   42    33 S   CT   _C5_    42     1.54934   112.34941  -158.34478
   43    42 S   HC   _H3_    43     1.09928   108.57581  -174.13609
   44    42 S   CO4  _C8_    44     1.52501   113.82243   -55.40560
   45    44 S   O    _O33    45     1.22406   124.69764   100.20245
   46    42 S   CT   _C4_    75     1.53404   112.14323    69.71787
   47    46 S   HC   _H7_    76     1.09482   112.27839   -64.73862
   48    46 S   HC   _H8_    77     1.09596   110.46636   175.74900
   49    46 S   HC   _H9_    78     1.09499   110.81643    56.37474
   50    44 S   OS   _O34    46     1.36394   109.76933   -79.80026
   51    50 S   CT   _C9_    47     1.43353   117.17233   179.20303
   52    51 S   HC   _H5_    48     1.09602   112.36616    29.75450
   53    51 S   CA   _C10    49     1.48809   112.58257   -96.26035
   54    51 S   CT   _C16    59     1.54663   108.89904   155.01882
   55    54 S   HC   _H6_    60     1.10075   109.83253    23.50679
   56    53 S   CA   _C11    50     1.38704   129.79349    54.46058
   57    56 S   HA   _H13    51     1.08388   119.52737    -2.11776
   58    54 S   CM   _C17    61     1.51549   113.30184   -98.84916
   59    56 S   CA   _C12    52     1.40200   118.51851   176.99066
   60    58 S   CM   _C18    62     1.34294   121.06056   107.47434
   61    60 S   HC   _H16    63     1.08520   121.45582   179.72234
   62    60 S   HC   _H17    64     1.08521   121.48341    -0.36904
   63    58 S   CT   _C19    65     1.50389   117.95286   -72.99604
   64    63 S   HC   _H18    66     1.09458   110.58077   -61.70536
   65    63 S   HC   _H19    67     1.09394   110.89118    58.73495
   66    63 S   HC   _H20    68     1.09545   111.95016   178.59695
   67    59 S   CA   _C13    53     1.41075   120.01249    -0.91450
   68    67 S   HA   _H14    54     1.08766   120.75992  -179.62258
   69    59 S   CO4  _C20    69     1.49101   121.53388   179.75531
   70    69 S   O    _O36    70     1.22894   119.94021   171.05616
   71    67 S   CA   _C14    55     1.39683   120.76254     0.34435
   72    71 S   HA   _H15    56     1.08438   120.77543  -179.77015
   73    69 S   CT   _C21    71     1.50686   119.07831    -9.05660
   74    73 S   HC   _H21    72     1.09279   110.36735    66.99093
   75    73 S   HC   _H22    73     1.09257   110.21618   -56.09648
   76    73 S   HC   _H23    74     1.09460   109.16015  -174.19208
   77    53 S   CA   _C15    57     1.38587   109.38001  -128.94221
   78    77 S   OS   _O35    58     1.37069   113.87771     2.00428
  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  10   5   4   3
  14   8   2   1   1   7   3   2   1   9   7  10   3   4   2   1
   1   9  13   7  12  13   5  10   4   9  11   7   2   1   4   2
   1   1   8   4   6   4   3   2   3   2   1   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    48    49  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    46    47    48    49  
   44    45    50    46    47    48    49  
   45    50    51    52    53    54    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    56    77    78    54    55    58  
   52    53    56    57    59    71    77    78    54    55    58    60    63  
   53    56    77    78    54    55    58  
   56    57    59    67    71    72    77    78    54    55    58    69  
   55    58    60    61    62    63    64    65    66    56    71    77    78  
   58    60    63    77    78  
   57    59    67    68    71    77    78    69    70    73  
   59    67    77    69  
   60    61    62    63    64    65    66    77    78  
   67    68    71    72    77    69    70    73    74    75    76  
   61    62    63    64    65    66    78  
   62    63  
   63  
   64    65    66    78  
   65    66  
   66  
    0  
   68    71    72    77    78    69    70    73  
   71    72    77    69  
   70    73    74    75    76    71  
   73    74    75    76  
   72    77    78  
   77    78  
   74    75    76  
   75    76  
   76  
    0  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   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   3.7500   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
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   268.000  1.529
   33    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   317.000  1.510
   51    54   268.000  1.529
   53    56   469.000  1.400
   53    77   469.000  1.400
   56    57   367.000  1.080
   56    59   469.000  1.400
   59    67   469.000  1.400
   59    69   310.000  1.470
   67    68   367.000  1.080
   67    71   469.000  1.400
   71    72   367.000  1.080
   71    77   469.000  1.400
   77    78   450.000  1.364
   78    54   320.000  1.410
   54    55   340.000  1.090
   54    58   317.000  1.510
   58    60   549.000  1.340
   58    63   317.000  1.510
   60    61   340.000  1.080
   60    62   340.000  1.080
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   69    70   570.000  1.229
   69    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    50    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    35.00000  109.50000
   44    50    51    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    85.00000  111.85700
   50    51    54    50.00000  109.50000
   51    53    56    70.00000  120.00000
   51    53    77    70.00000  120.00000
   51    54    78    50.00000  109.50000
   51    54    55    37.50000  110.70000
   51    54    58    70.00000  112.02700
   53    51    52    35.00000  109.50000
   53    56    57    35.00000  120.00000
   53    56    59    63.00000  120.00000
   53    77    71    63.00000  120.00000
   53    77    78    70.00000  120.00000
   56    59    67    63.00000  120.00000
   56    59    69    60.00000  119.52600
   59    56    57    35.00000  120.00000
   59    67    68    35.00000  120.00000
   59    67    71    63.00000  120.00000
   59    69    70    75.00000  123.78400
   59    69    73    65.00000  115.47100
   67    71    72    35.00000  120.00000
   67    71    77    63.00000  120.00000
   71    67    68    35.00000  120.00000
   71    77    78    70.00000  120.00000
   77    53    56    63.00000  120.00000
   77    71    72    35.00000  120.00000
   77    78    54    75.00000  111.00000
   78    54    55    35.00000  109.50000
   78    54    58    85.00000  110.90400
   54    51    52    37.50000  110.70000
   54    51    53    70.00000  112.17500
   54    58    60    70.00000  124.00000
   54    58    63    65.00000  117.92700
   58    54    55    35.00000  109.50000
   58    60    61    35.00000  120.00000
   58    60    62    35.00000  120.00000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    66    35.00000  109.50000
   62    60    61    35.00000  117.00000
   63    58    60    70.00000  124.00000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   69    59    67    60.00000  119.52600
   69    73    74    35.00000  109.50000
   69    73    75    35.00000  109.50000
   69    73    76    35.00000  109.50000
   73    69    70    80.00000  120.40000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    50   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    49   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    50    51   1.63150  1.0 1.0
   42    44    50    51   2.92000 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    50   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    49  -0.11250  1.0 3.0
   44    50    51    52   0.08050  1.0 3.0
   44    50    51    53  -0.43900 -1.0 2.0
   44    50    51    53   0.14100  1.0 3.0
   44    50    51    54  -0.25900  1.0 1.0
   44    50    51    54  -0.47000 -1.0 2.0
   44    50    51    54   0.11750  1.0 3.0
   45    44    50    51   3.00000 -1.0 2.0
   50    51    53    56   0.64500  1.0 1.0
   50    51    53    56   0.14800 -1.0 2.0
   50    51    53    56   0.20650  1.0 3.0
   50    51    53    77   0.64500  1.0 1.0
   50    51    53    77   0.14800 -1.0 2.0
   50    51    53    77   0.20650  1.0 3.0
   50    51    54    78   1.11900  1.0 1.0
   50    51    54    78  -1.16350 -1.0 2.0
   50    51    54    78  -0.34150  1.0 3.0
   50    51    54    55   0.23400  1.0 3.0
   50    51    54    58   0.61850  1.0 1.0
   50    51    54    58  -0.22750 -1.0 2.0
   50    51    54    58   0.15300  1.0 3.0
   51    53    56    57   3.62500 -1.0 2.0
   51    53    56    59   3.62500 -1.0 2.0
   51    53    77    71   3.62500 -1.0 2.0
   51    53   -77    78   3.62500 -1.0 2.0
   51    54    58    60   0.09850  1.0 1.0
   51    54    58    60   0.15250 -1.0 2.0
   51    54    58    60  -0.50650  1.0 3.0
   51    54    58    63   0.46850  1.0 1.0
   51    54    58    63   0.08550 -1.0 2.0
   51    54    58    63   0.09800  1.0 3.0
   52    51    53    56   0.00000  1.0 1.0
   52    51    53    77   0.00000  1.0 1.0
   52    51    54    78   0.23400  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    58   0.15000  1.0 3.0
   53    51   -54    78  -0.64350  1.0 1.0
   53    51   -54    78  -0.04200 -1.0 2.0
   53    51   -54    78   0.19800  1.0 3.0
   53    51    54    55   0.43200  1.0 3.0
   53    51    54    58   0.21200  1.0 1.0
   53    51    54    58   0.16900 -1.0 2.0
   53    51    54    58  -1.15100  1.0 3.0
   53    56    59    67   3.62500 -1.0 2.0
   53    56    59    69   3.62500 -1.0 2.0
   53    77   -78    54   1.63200 -1.0 2.0
   56    53    77    71   3.62500 -1.0 2.0
   56    53    77    78   3.62500 -1.0 2.0
   56    59    67    68   3.62500 -1.0 2.0
   56    59   -67    71   3.62500 -1.0 2.0
   56    59    69    70   1.05000 -1.0 2.0
   56    59    69    73   2.26350  1.0 1.0
   56    59    69    73   0.76750 -1.0 2.0
   56    59    69    73   0.22500  1.0 3.0
   57    56    59    67   3.62500 -1.0 2.0
   57    56    59    69   3.62500 -1.0 2.0
   59    67    71    72   3.62500 -1.0 2.0
   59    67    71    77   3.62500 -1.0 2.0
   59    69    73    74   0.00000  1.0 1.0
   59    69    73    75   0.00000  1.0 1.0
   59    69    73    76   0.00000  1.0 1.0
   67    59    69    70   1.05000 -1.0 2.0
   67    59    69    73   2.26350  1.0 1.0
   67    59    69    73   0.76750 -1.0 2.0
   67    59    69    73   0.22500  1.0 3.0
   67    71   -77    53   3.62500 -1.0 2.0
   67    71    77    78   3.62500 -1.0 2.0
   68    67    71    72   3.62500 -1.0 2.0
   68    67    71    77   3.62500 -1.0 2.0
   71    77    78    54   1.63200 -1.0 2.0
   72    71    77    53   3.62500 -1.0 2.0
   72    71    77    78   3.62500 -1.0 2.0
   77    53    56    57   3.62500 -1.0 2.0
   77    53   -56    59   3.62500 -1.0 2.0
   77    78   -54    51  -0.32850  1.0 1.0
   77    78   -54    51  -0.35800 -1.0 2.0
   77    78   -54    51   0.33950  1.0 3.0
   77    78    54    55   0.08050  1.0 3.0
   77    78    54    58  -0.25600  1.0 1.0
   77    78    54    58  -0.40050 -1.0 2.0
   77    78    54    58   0.34700  1.0 3.0
   78    54    58    60   0.39000  1.0 1.0
   78    54    58    60  -0.05800 -1.0 2.0
   78    54    58    60  -0.55150  1.0 3.0
   78    54    58    63   0.09700  1.0 1.0
   78    54    58    63   0.15600 -1.0 2.0
   78    54    58    63  -0.50800  1.0 3.0
   54    51    53    56   0.04150 -1.0 2.0
   54    51   -53    77   0.04150 -1.0 2.0
   54    58    60    61   7.00000 -1.0 2.0
   54    58    60    62   7.00000 -1.0 2.0
   54    58    63    64   0.34800  1.0 3.0
   54    58    63    65   0.34800  1.0 3.0
   54    58    63    66   0.34800  1.0 3.0
   55    54    58    60   0.00000  1.0 1.0
   55    54    58    63   0.34800  1.0 3.0
   60    58    63    64   0.00000  1.0 1.0
   60    58    63    65   0.00000  1.0 1.0
   60    58    63    66   0.00000  1.0 1.0
   63    58    60    61   7.00000 -1.0 2.0
   63    58    60    62   7.00000 -1.0 2.0
   69    59    67    68   3.62500 -1.0 2.0
   69    59    67    71   3.62500 -1.0 2.0
   70    69    73    74   0.00000  1.0 1.0
   70    69    73    75   0.00000  1.0 1.0
   70    69    73    76   0.00000  1.0 1.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.36750  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    50    44    45  10.50000 -1.0 2.0
   56    77    53    51   4.00000 -1.0 2.0
   59    57    56    53   1.10000 -1.0 2.0
   67    69    59    56   4.00000 -1.0 2.0
   71    68    67    59   1.10000 -1.0 2.0
   77    72    71    67   1.10000 -1.0 2.0
   71    78    77    53   4.00000 -1.0 2.0
   54    63    58    60  15.00000 -1.0 2.0
   61    62    60    58  15.00000 -1.0 2.0
   59    73    69    70  10.50000 -1.0 2.0
END
