* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    139    228     409
    1     0 S   NP   _N1_     1    28.96725    96.59896   -25.78690
    2     1 S   H    _HN1     2     1.02794   121.39864   -93.70533
    3     1 S   H    _H1_     3     1.02946    68.87328     5.52748
    4     1 S   H    _H2_     4     1.02824    38.23053  -172.59109
    5     1 S   CT   _CA1     5     1.50137   123.70421   106.55333
    6     5 S   HC   _HA1     6     1.09573   105.14056   100.04617
    7     5 S   CO3  _C1_     7     1.53759   112.50875   -20.12365
    8     7 S   O2Z  _O11     8     1.26377   114.99522   -41.30150
    9     7 S   O2Z  _O12     9     1.26237   114.94114   137.68158
   10     5 S   CT   _CB1    10     1.53054   107.39529  -141.98911
   11    10 S   HC   HB11    11     1.09843   109.28485   -49.28053
   12    10 S   HC   HB12    12     1.09809   110.48665    67.30217
   13    10 S   CT   _CG1    13     1.53027   112.67072  -170.21769
   14    13 S   HC   HG11    14     1.09565   110.75896   -68.48340
   15    13 S   HC   HG12    15     1.09669   109.67192    50.77057
   16    13 S   C    _CD1    16     1.51815   111.91629   171.24819
   17    16 S   O    _OE1    17     1.22761   123.15971    14.17422
   18    16 S   N    _N2_    18     1.38645   111.88205  -165.77256
   19    18 S   H    _HN2    19     1.01574   118.95222     0.86094
   20    18 S   CT1  _CA2    20     1.46219   123.36142   176.02916
   21    20 S   HC   _HA2    21     1.09739   109.32560     8.29313
   22    20 S   C    _C2_    22     1.53695   108.76368  -107.23723
   23    22 S   O    _O2_    23     1.23083   122.21625  -147.98758
   24    20 S   CT   _CB2    32     1.53441   111.61646   130.40025
   25    24 S   HC   HB21    33     1.09441   109.63185    57.14510
   26    24 S   HC   HB22    34     1.09449   109.61451   175.91021
   27    22 S   N    _N3_    24     1.38301   113.87849    39.44419
   28    27 S   H    _HN3    25     1.01539   119.64543    -2.97664
   29    24 S   S    _SG2    35     1.82894   111.22778   -64.87318
   30    27 S   CT   _CA3    26     1.45285   123.31046   177.33127
   31    30 S   HC   HA31    27     1.09545   107.49054   -65.50370
   32    30 S   HC   HA32    28     1.09554   108.03052    50.97014
   33    29 S   CT   _C16    36     1.85891   102.08483   167.39358
   34    33 S   Cl   Cl1_    37     1.80450   109.20142   -65.92852
   35    30 S   CO3  _C3_    29     1.52987   114.01659   172.98821
   36    35 S   O2Z  _O31    30     1.26389   116.07437    -0.46055
   37    35 S   O2Z  _O32    31     1.26423   114.42133   179.60091
   38    33 S   CT   _C15    38     1.55764   110.14160    54.00438
   39    38 S   HC   _H15    39     1.09856   109.43311    53.76125
   40    38 S   HC   _H16    40     1.09604   111.05268   -64.12606
   41    38 S   CT   _C14    41     1.53843   113.71408   174.73794
   42    41 S   HC   _H13    42     1.09648   109.49372    66.81676
   43    41 S   HC   _H14    43     1.09613   109.56230  -177.04832
   44    41 S   C4T  _C13    44     1.52431   110.78338   -56.03788
   45    44 S   HC   _H5_    45     1.09617   113.38813   -78.10511
   46    44 S   C4T  _C12    46     1.55781   117.01282   143.38205
   47    46 S   HC   _H4_    47     1.09506   114.51067    13.35949
   48    44 S   N4   _N5_    50     1.46455   109.58392    47.10387
   49    46 S   C4   _C18    48     1.55226    84.83766  -100.49566
   50    49 S   O    _O34    49     1.20889   136.18975   168.29807
   51    33 S   CT1  _C17    51     1.55550   108.33311   173.37368
   52    51 S   HC   _H6_    52     1.10239   105.93821   -57.53807
   53    46 S   N    _N4_    56     1.47812   114.60201   145.28789
   54    53 S   H    _H12    57     1.01679   119.43396    10.84889
   55    51 S   CO3  _C19    53     1.54901   122.14088    59.84791
   56    55 S   O2Z  _O36    54     1.26073   116.80551    13.68418
   57    55 S   O2Z  _O35    55     1.26707   114.30152  -165.63707
   58    53 S   C    _C11    58     1.39044   122.34377  -172.76836
   59    58 S   O    _O33    59     1.22954   123.90953     1.88907
   60    58 S   CT1  _C10    60     1.53068   112.46381  -177.89652
   61    60 S   HC   _H3_    61     1.09760   107.76402   -40.49616
   62    60 S   CA   _C7_    62     1.51479   111.24162    80.05419
   63    60 S   NT   _N6_    73     1.46659   108.86041  -156.53350
   64    63 S   H    _H17    74     1.01922   109.42346   174.45059
   65    63 S   H    _H18    75     1.01929   109.55220    58.32409
   66    62 S   CA   _C6_    63     1.40302   120.01019  -120.29097
   67    66 S   HA   _H9_    64     1.08726   120.51427    -0.31153
   68    66 S   CA   _C5_    65     1.39624   120.60040   179.58129
   69    68 S   HA   _H8_    66     1.08631   119.93763  -179.87967
   70    68 S   CA   _C4_    67     1.39321   120.11253     0.03426
   71    70 S   HA   _H7_    68     1.08610   120.04838  -179.88636
   72    70 S   CA   _C9_    69     1.39304   119.92075     0.06256
   73    72 S   HA   _H11    70     1.08625   120.01225  -179.95154
   74    62 S   CA   _C8_    71     1.40423   121.32677    59.43433
   75    74 S   HA   _H10    72     1.08765   120.40033     0.34092
  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
  15   8   2   1   1  12   6   5  10   5   4  12   6  10   6   8
   7   2   4   3   7   3   2   1   1   9   4  11   6  12   4   1
   1   8   4   6   3   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    48    51    52    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    49    48    51    52    55    56    57  
   38    39    40    41    48    51    52    55  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    48    51    52    55  
   40    41    42    43    44    51  
   41    42    43    44    51  
   42    43    44    45    46    47    49    48    51    53  
   43    44    45    46    48  
   44    45    46    48  
   45    46    47    49    50    48    51    52    55    53    54    58  
   46    47    49    48    51    53  
   47    49    50    48    51    53    54    58    59    60  
   49    50    48    53    54    58  
   51    52    55    56    57    53    49    50  
   50    51    52    55    53    54    58  
   51    53  
   52    55    56    57  
   55    56    57  
   54    58    59    60    61    62    63  
   58    59    60  
   56    57  
   57  
    0  
   59    60    61    62    66    74    63    64    65  
   60    61    62    63  
   61    62    66    67    68    72    74    75    63    64    65  
   62    66    74    63    64    65  
   66    67    68    69    70    72    73    74    75    63    64    65  
   64    65    66    74  
   65  
    0  
   67    68    69    70    71    72    74    75  
   68    69    70    74  
   69    70    71    72    73    74  
   70    71    72  
   71    72    73    74    75  
   72    73    74  
   73    74    75  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.207500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.061200   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.003700   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   49   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   51   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   54   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   55   3.7500   0.1050   0.700000   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   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   60   3.5000   0.0660   0.278900   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   64   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   65   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   245.000  1.781
   33    38   268.000  1.529
   33    51   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   260.000  1.519
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   305.000  1.456
   46    47   340.000  1.090
   46    49   250.000  1.540
   46    53   337.000  1.449
   49    50   930.000  1.212
   49    48   440.000  1.369
   48    51   337.000  1.449
   51    52   340.000  1.090
   51    55   317.000  1.522
   55    56   656.000  1.250
   55    57   656.000  1.250
   53    54   434.000  1.010
   53    58   490.000  1.335
   58    59   570.000  1.229
   58    60   317.000  1.522
   60    61   340.000  1.090
   60    62   275.000  1.474
   60    63   305.000  1.457
   62    66   469.000  1.400
   62    74   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   63    64   434.000  1.010
   63    65   434.000  1.010
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    85.00000  110.65400
   29    33    38    75.00000  111.63000
   29    33    51    75.00000  108.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    51    48    80.00000  109.70000
   33    51    52    37.50000  110.70000
   33    51    55    63.00000  111.10000
   38    33    34    69.00000  109.80000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    44    70.00000  112.98000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    44    45    45.00000  112.72800
   41    44    46    65.00000  119.52000
   41    44    48    80.00000  110.05700
   43    41    42    33.00000  107.80000
   44    41    42    45.00000  111.22300
   44    41    43    45.00000  111.22300
   44    46    47    37.50000  110.70000
   44    46    49   100.00000   86.36000
   44    46    53    80.00000  110.05700
   44    48    49   100.00000   93.00000
   44    48    51    50.00000  132.70000
   46    44    45    37.50000  110.70000
   46    49    50    60.00000  136.58000
   46    49    48    95.00000   92.72400
   46    53    54    38.00000  118.40000
   46    53    58    50.00000  121.90000
   49    46    47    40.00000  113.37500
   49    48    51    50.00000  132.10000
   48    44    45    50.00000  112.01000
   48    44    46   105.00000   87.49700
   48    49    50    75.00000  131.60000
   48    51    52    35.00000  109.50000
   48    51    55    63.00000  110.10000
   51    33    34    69.00000  109.80000
   51    33    38    58.35000  112.70000
   51    55    56    70.00000  117.00000
   51    55    57    70.00000  117.00000
   55    51    52    35.00000  109.50000
   57    55    56    80.00000  126.00000
   53    46    47    50.00000  112.01000
   53    46    49    75.00000  110.24000
   53    58    59    80.00000  122.90000
   53    58    60    70.00000  116.60000
   58    53    54    35.00000  119.80000
   58    60    61    35.00000  109.50000
   58    60    62    70.00000  102.60000
   58    60    63    75.00000  111.54000
   60    58    59    80.00000  120.40000
   60    62    66    60.00000  125.54000
   60    62    74    60.00000  125.54000
   60    63    64    50.00000  111.55300
   60    63    65    50.00000  111.55300
   62    60    61    45.00000  110.88000
   62    66    67    35.00000  120.00000
   62    66    68    63.00000  120.00000
   62    74    72    63.00000  120.00000
   62    74    75    35.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    35.00000  120.00000
   74    62    66    63.00000  120.00000
   74    72    73    35.00000  120.00000
   63    60    61    50.00000  109.55000
   63    60    62    75.00000  112.33000
   65    63    64    43.60000  106.40000
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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    51    48   0.71400  1.0 1.0
   29    33    51    48   0.04300 -1.0 2.0
   29    33    51    48   0.01450  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    55  -2.17200  1.0 1.0
   29    33    51    55  -0.85700 -1.0 2.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    44   0.31550 -1.0 2.0
   33    38    41    44   0.11250  1.0 3.0
   33    51    55    56   0.00000  1.0 1.0
   33    51    55    57   0.00000  1.0 1.0
   34    33    38    39   0.27000  1.0 3.0
   34    33    38    40   0.27000  1.0 3.0
   34    33    38    41   0.35600  1.0 1.0
   34    33    38    41  -0.14650 -1.0 2.0
   34    33    38    41   0.33350  1.0 3.0
   34    33    51    48   0.56750  1.0 1.0
   34    33    51    48  -0.07550 -1.0 2.0
   34    33    51    48   0.20000  1.0 3.0
   34    33    51    52   0.27000  1.0 3.0
   34    33    51    55   0.56750  1.0 1.0
   34    33    51    55  -0.07550 -1.0 2.0
   34    33    51    55   0.20000  1.0 3.0
   38    33    51    48   0.42250  1.0 1.0
   38    33    51    48  -0.48100 -1.0 2.0
   38    33    51    48   0.35650  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    55  -0.84850  1.0 1.0
   38    33    51    55  -0.22800 -1.0 2.0
   38    33    51    55   0.29250  1.0 3.0
   38    41    44    45   0.15000  1.0 3.0
   38    41    44    46   0.04050  1.0 1.0
   38    41    44    46   0.63700 -1.0 2.0
   38    41    44    46   0.17650  1.0 3.0
   38    41   -44    48   0.43900  1.0 1.0
   38    41   -44    48   0.49100 -1.0 2.0
   38    41   -44    48   0.28400  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    44   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   41    44    46    47   0.15000  1.0 3.0
   41    44    46    49  -0.95700  1.0 1.0
   41    44    46    49  -0.18200 -1.0 2.0
   41    44    46    49   0.29450  1.0 3.0
   41    44    46    53   0.43900  1.0 1.0
   41    44    46    53   0.49100 -1.0 2.0
   41    44    46    53   0.28400  1.0 3.0
   41    44   -48    49   0.00000  1.0 1.0
   41    44    48    51   0.00000  1.0 1.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    46   0.00000  1.0 1.0
   42    41    44    48   0.15000  1.0 3.0
   43    41    44    45   0.15000  1.0 3.0
   43    41    44    46   0.00000  1.0 1.0
   43    41    44    48   0.15000  1.0 3.0
   44    46    49    50  -0.11250  1.0 1.0
   44    46    49    50   0.11400 -1.0 2.0
   44    46    49    50  -0.28950  1.0 3.0
   44    46   -49    48   3.00000 -1.0 2.0
   44    46    53    54   0.00000  1.0 1.0
   44    46    53    58  -0.43950  1.0 1.0
   44    46    53    58  -0.08100 -1.0 2.0
   44    46    53    58   0.03350  1.0 3.0
   44    48   -51    33   0.00000  1.0 1.0
   44    48    51    52   0.00000  1.0 1.0
   44    48    51    55   0.00000  1.0 1.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    49   0.15000  1.0 3.0
   45    44    46    53   0.15000  1.0 3.0
   45    44   -48    49   0.00000  1.0 1.0
   45    44    48    51   0.00000  1.0 1.0
   46    44   -48    49   0.00000  1.0 1.0
   46    44    48    51   0.00000  1.0 1.0
   46    49   -48    44   3.00000 -1.0 2.0
   46    49   -48    51   3.00000 -1.0 2.0
   46    53    58    59   3.04450 -1.0 2.0
   46    53    58    60   1.15000  1.0 1.0
   46    53    58    60   3.04450 -1.0 2.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    48   0.00000  1.0 1.0
   47    46    53    54   0.00000  1.0 1.0
   47    46    53    58   0.00000  1.0 1.0
   49    46    53    54   0.00000  1.0 1.0
   49    46    53    58  -0.42300  1.0 1.0
   49    46    53    58  -0.07000 -1.0 2.0
   49    46    53    58   0.04150  1.0 3.0
   49    48    51    33   0.00000  1.0 1.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    55   0.00000  1.0 1.0
   50    49   -48    44   3.00000 -1.0 2.0
   50    49    48    51   3.00000 -1.0 2.0
   48    44   -46    47   0.15000  1.0 3.0
   48    44   -46    49   3.00000 -1.0 2.0
   48    44    46    53   2.20050  1.0 1.0
   48    44    46    53   0.63450 -1.0 2.0
   48    44    46    53  -0.91300  1.0 3.0
   48    51    55    56   0.00000  1.0 1.0
   48    51    55    57   0.00000  1.0 1.0
   51    33    38    39   0.15000  1.0 3.0
   51    33    38    40   0.15000  1.0 3.0
   51    33   -38    41   0.56750  1.0 1.0
   51    33   -38    41  -0.07550 -1.0 2.0
   51    33   -38    41   0.20000  1.0 3.0
   52    51    55    56   0.00000  1.0 1.0
   52    51    55    57   0.00000  1.0 1.0
   53    46    49    50   0.30150 -1.0 2.0
   53    46   -49    48   0.00000  1.0 1.0
   53    58    60    61   0.00000  1.0 1.0
   53    58    60    62   0.00000  1.0 1.0
   53    58    60    63   0.00000  1.0 1.0
   54    53    58    59   2.45000 -1.0 2.0
   54    53    58    60   2.45000 -1.0 2.0
   58    60    62    66   0.04300 -1.0 2.0
   58    60    62    74   0.04300 -1.0 2.0
   58    60    63    64   0.21900  1.0 1.0
   58    60    63    64  -0.24900 -1.0 2.0
   58    60    63    64   0.15200  1.0 3.0
   58    60    63    65   0.21900  1.0 1.0
   58    60    63    65  -0.24900 -1.0 2.0
   58    60    63    65   0.15200  1.0 3.0
   59    58    60    61   0.00000  1.0 1.0
   59    58    60    62   0.30150 -1.0 2.0
   59    58    60    63   0.30150 -1.0 2.0
   60    62    66    67   3.62500 -1.0 2.0
   60    62    66    68   3.62500 -1.0 2.0
   60    62    74    72   3.62500 -1.0 2.0
   60    62    74    75   3.62500 -1.0 2.0
   61    60    62    66   0.00000  1.0 1.0
   61    60    62    74   0.00000  1.0 1.0
   61    60    63    64   0.20000  1.0 3.0
   61    60    63    65   0.20000  1.0 3.0
   62    60    63    64   0.76500  1.0 1.0
   62    60    63    64   0.05700 -1.0 2.0
   62    60    63    64  -0.90900  1.0 3.0
   62    60    63    65   0.76500  1.0 1.0
   62    60    63    65   0.05700 -1.0 2.0
   62    60    63    65  -0.90900  1.0 3.0
   62    66    68    69   3.62500 -1.0 2.0
   62    66    68    70   3.62500 -1.0 2.0
   66    62    74    72   3.62500 -1.0 2.0
   66    62    74    75   3.62500 -1.0 2.0
   66    68    70    71   3.62500 -1.0 2.0
   66    68   -70    72   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70    72    73   3.62500 -1.0 2.0
   68    70    72    74   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72   -74    62   3.62500 -1.0 2.0
   70    72    74    75   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   73    72    74    62   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   74    62    66    67   3.62500 -1.0 2.0
   74    62   -66    68   3.62500 -1.0 2.0
   63    60    62    66   0.18550 -1.0 2.0
   63    60    62    66   0.14000  1.0 3.0
   63    60    62    74   0.18550 -1.0 2.0
   63    60    62    74   0.14000  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
   46    48    49    50  10.50000 -1.0 2.0
   51    49    48    44   1.00000 -1.0 2.0
   56    51    55    57  10.50000 -1.0 2.0
   54    58    53    46   1.00000 -1.0 2.0
   53    60    58    59  10.50000 -1.0 2.0
   66    74    62    60   4.00000 -1.0 2.0
   68    67    66    62   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   72    75    74    62   1.10000 -1.0 2.0
END
