* LIGAND DATABASE FILE (OPLS2005)
*
001      72    73    133    206     380
    1     0 S   NP   _N1_     1    29.02003    95.01127   -24.48187
    2     1 S   H    _HN1     2     1.02952    76.86609     8.61867
    3     1 S   H    _H1_     3     1.02828    30.42163  -178.23630
    4     1 S   H    _H2_     4     1.02793   115.17594   -95.68624
    5     1 S   CT   _CA1     5     1.50121   126.39343   114.43712
    6     5 S   HC   _HA1     6     1.09573   105.19841    89.12658
    7     5 S   CO3  _C1_     7     1.53765   112.47206   -31.11293
    8     7 S   O2Z  _O11     8     1.26368   115.00785   -42.80248
    9     7 S   O2Z  _O12     9     1.26239   114.93840   136.30935
   10     5 S   CT   _CB1    10     1.53051   107.39178  -152.92613
   11    10 S   HC   HB11    11     1.09839   109.31052   -50.04080
   12    10 S   HC   HB12    12     1.09816   110.44390    66.50835
   13    10 S   CT   _CG1    13     1.53020   112.69701  -171.05745
   14    13 S   HC   HG11    14     1.09577   110.65012   -66.15066
   15    13 S   HC   HG12    15     1.09659   109.83236    53.15241
   16    13 S   C    _CD1    16     1.51751   112.05600   173.54023
   17    16 S   O    _OE1    17     1.22770   123.22301     6.92974
   18    16 S   N    _N2_    18     1.38640   111.89579  -173.31936
   19    18 S   H    _HN2    19     1.01581   119.08301     2.56689
   20    18 S   CT1  _CA2    20     1.45891   122.67961   176.14390
   21    20 S   HC   _HA2    21     1.09641   110.00849    14.66555
   22    20 S   C    _C2_    22     1.52796   105.35309  -101.43553
   23    22 S   O    _O2_    23     1.22926   122.78125  -103.02563
   24    20 S   CT   _CB2    32     1.53047   111.97899   137.48143
   25    24 S   HC   HB21    33     1.09567   111.30017    51.49666
   26    24 S   HC   HB22    34     1.09482   109.45115   170.36381
   27    22 S   N    _N3_    24     1.38499   112.70397    75.37590
   28    27 S   H    _HN3    25     1.01730   119.83096     0.32746
   29    24 S   S    _SG2    35     1.82193   110.56835   -69.31974
   30    27 S   CT   _CA3    26     1.45290   122.76975  -179.25901
   31    30 S   HC   HA31    27     1.09559   107.14919   -69.78958
   32    30 S   HC   HA32    28     1.09555   108.33529    46.57938
   33    29 S   C3T  _C8_    36     1.76286   102.27326  -164.59938
   34    33 S   Cl   Cl1_    37     1.77707   111.08497   -81.24773
   35    30 S   CO3  _C3_    29     1.52901   114.30855   168.50525
   36    35 S   O2Z  _O31    30     1.26325   116.10576   -11.91628
   37    35 S   O2Z  _O32    31     1.26445   114.40330   168.39617
   38    33 S   C3T  _C7_    38     1.51407   118.59114    62.37318
   39    38 S   HC   _H3_    39     1.08775   116.93323     2.92530
   40    33 S   C3T  _C6_    40     1.55583   120.59068   132.50320
   41    38 S   CT   _C9_    69     1.49138   123.37341  -136.13624
   42    41 S   HC   _H10    70     1.09211   114.32641   -33.38472
   43    41 S   HC   _H11    71     1.09480   109.70570  -154.59058
   44    41 S   HC   _H12    72     1.09507   109.62221    87.28861
   45    40 S   C    _C10    41     1.51580   117.25654    -2.06355
   46    45 S   O    _O33    42     1.22620   120.18140    67.04153
   47    40 S   CT   _C5_    62     1.52802   120.22200   145.65642
   48    47 S   HC   _H8_    63     1.09342   112.20175    35.58461
   49    47 S   HC   _H9_    64     1.09690   108.49628   152.48926
   50    45 S   N    _N4_    43     1.38324   114.30962  -112.81160
   51    50 S   H    _H13    44     1.01476   119.17382    -2.63158
   52    47 S   CT   _C4_    65     1.52252   112.76331   -86.63522
   53    52 S   HC   _H5_    66     1.09421   111.40210   -65.32014
   54    52 S   HC   _H6_    67     1.09466   110.12437   175.43842
   55    52 S   HC   _H7_    68     1.09420   111.41553    55.30853
   56    50 S   CT   _C11    45     1.45851   122.10688   166.40127
   57    56 S   HC   _H4_    46     1.09747   107.52966    34.07355
   58    56 S   CA   _C13    47     1.51911   109.39692   -83.95651
   59    56 S   CT   _C12    58     1.52786   110.69768   150.98990
   60    59 S   HC   _H14    59     1.09551   112.17517    58.24632
   61    59 S   HC   _H15    60     1.09536   111.04006   179.17197
   62    59 S   HC   _H16    61     1.09579   110.36691   -60.98809
   63    58 S   CA   _C14    48     1.40382   119.84963   108.89907
   64    63 S   HA   _H17    49     1.08766   120.36398     1.72158
   65    63 S   CA   _C15    50     1.39663   120.79007  -177.48845
   66    65 S   HA   _H18    51     1.08681   119.41475   179.60140
   67    65 S   CA   _C16    52     1.39295   119.73603     0.15066
   68    67 S   Cl   Cl2_    53     1.72137   119.84464   179.70658
   69    67 S   CA   _C17    54     1.39292   120.39022     0.17804
   70    69 S   HA   _H19    55     1.08673   120.84466   179.45715
   71    58 S   CA   _C18    56     1.40439   121.51364   -67.97320
   72    71 S   HA   _H20    57     1.08705   120.54212    -1.64402
  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   8   5   4   3
  15   6   2   1   1  13   7  16   5   2   1   1  11   4   7   5
   4  10   4   3   2   1   1  12   7  13   5   2   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    47    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    45    46    50    47    48    49    52    41    42    43    44  
   38    39    40    45    47    41  
   36    37  
   37  
    0  
   39    40    45    46    50    47    48    49    52    41    42    43    44  
   40    45    47    41    42    43    44  
   45    46    50    51    56    47    48    49    52    53    54    55    41    42    43    44  
   42    43    44    45    47  
   43    44  
   44  
    0  
   46    50    51    56    57    58    59    47    48    49    52  
   50    51    56    47  
   48    49    52    53    54    55    50  
   49    52    53    54    55  
   52    53    54    55  
   51    56    57    58    63    71    59    60    61    62  
   56    57    58    59  
   53    54    55  
   54    55  
   55  
    0  
   57    58    63    64    65    69    71    72    59    60    61    62  
   58    63    71    59    60    61    62  
   63    64    65    66    67    69    70    71    72    59    60    61    62  
   60    61    62    63    71  
   61    62  
   62  
    0  
   64    65    66    67    68    69    71    72  
   65    66    67    71  
   66    67    68    69    70    71  
   67    68    69  
   68    69    70    71    72  
   69    70    71  
   70    71    72  
   71    72  
   72  
    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   0.228500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.221000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   51   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.255000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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
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   220.000  1.750
   33    38   260.000  1.509
   33    40   260.000  1.509
   38    39   340.000  1.088
   38    40   260.000  1.509
   38    41   275.000  1.510
   40    45   295.000  1.481
   40    47   275.000  1.510
   45    46   570.000  1.229
   45    50   490.000  1.335
   50    51   434.000  1.010
   50    56   337.000  1.449
   56    57   340.000  1.090
   56    58   317.000  1.510
   56    59   268.000  1.529
   58    63   469.000  1.400
   58    71   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   300.000  1.725
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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    85.00000  110.65400
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  117.20000
   33    38    40    10.00000   60.00500
   33    38    41    60.00000  120.94000
   33    40    38    10.00000   60.00500
   33    40    45    65.00000  116.19300
   33    40    47    60.00000  120.94000
   38    33    34    65.00000  117.97100
   38    40    45    65.00000  116.19300
   38    40    47    60.00000  120.94000
   38    41    42    45.00000  109.38400
   38    41    43    45.00000  109.38400
   38    41    44    45.00000  109.38400
   40    33    34    65.00000  117.97100
   40    33    38    10.00000   60.00500
   40    38    39    37.50000  117.20000
   40    45    46    75.00000  122.66600
   40    45    50    75.00000  114.51300
   40    47    48    45.00000  109.38400
   40    47    49    45.00000  109.38400
   40    47    52    70.00000  112.37300
   45    50    51    35.00000  119.80000
   45    50    56    50.00000  121.90000
   50    45    46    80.00000  122.90000
   50    56    57    35.00000  109.50000
   50    56    58    75.00000  111.96400
   50    56    59    70.00000  110.72300
   56    50    51    38.00000  118.40000
   56    58    63    70.00000  120.00000
   56    58    71    70.00000  120.00000
   56    59    60    37.50000  110.70000
   56    59    61    37.50000  110.70000
   56    59    62    37.50000  110.70000
   58    56    57    35.00000  109.50000
   58    63    64    35.00000  120.00000
   58    63    65    63.00000  120.00000
   58    71    69    63.00000  120.00000
   58    71    72    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    67    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    67    68    75.00000  120.00000
   65    67    69    63.00000  120.00000
   67    65    66    35.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    75.00000  120.00000
   69    71    72    35.00000  120.00000
   71    58    63    63.00000  120.00000
   71    69    70    35.00000  120.00000
   59    56    57    37.50000  110.70000
   59    56    58    70.00000  112.17500
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   47    40    45    63.00000  111.10000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    55    37.50000  110.70000
   49    47    48    33.00000  107.80000
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   41    38    39    40.00000  115.04500
   41    38    40    60.00000  120.94000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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   0.01700  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    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    38    39   0.15000  1.0 3.0
   29    33   -38    40   0.44750  1.0 1.0
   29    33   -38    40  -0.17800 -1.0 2.0
   29    33   -38    40   0.20200  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   -40    38   0.44750  1.0 1.0
   29    33   -40    38  -0.17800 -1.0 2.0
   29    33   -40    38   0.20200  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   29    33    40    47   0.44750  1.0 1.0
   29    33    40    47  -0.17800 -1.0 2.0
   29    33    40    47   0.20200  1.0 3.0
   33    38   -40    45  -0.95700  1.0 1.0
   33    38   -40    45  -0.18200 -1.0 2.0
   33    38   -40    45   0.29450  1.0 3.0
   33    38   -40    47   0.07850  1.0 1.0
   33    38   -40    47  -0.03950 -1.0 2.0
   33    38   -40    47   0.67350  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    44   0.15000  1.0 3.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    50   1.39750  1.0 1.0
   33    40    45    50  -0.07950 -1.0 2.0
   33    40    45    50  -0.18750  1.0 3.0
   33    40    47    48   0.15000  1.0 3.0
   33    40    47    49   0.15000  1.0 3.0
   33    40    47    52   0.07850  1.0 1.0
   33    40    47    52  -0.03950 -1.0 2.0
   33    40    47    52   0.67350  1.0 3.0
   34    33    38    39   0.27000  1.0 3.0
   34    33   -38    40   0.35600  1.0 1.0
   34    33   -38    40  -0.14650 -1.0 2.0
   34    33   -38    40   0.33350  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   -40    38   0.35600  1.0 1.0
   34    33   -40    38  -0.14650 -1.0 2.0
   34    33   -40    38   0.33350  1.0 3.0
   34    33    40    45   0.56750  1.0 1.0
   34    33    40    45  -0.07550 -1.0 2.0
   34    33    40    45   0.20000  1.0 3.0
   34    33    40    47   0.35600  1.0 1.0
   34    33    40    47  -0.14650 -1.0 2.0
   34    33    40    47   0.33350  1.0 3.0
   38    33   -40    45  -0.95700  1.0 1.0
   38    33   -40    45  -0.18200 -1.0 2.0
   38    33   -40    45   0.29450  1.0 3.0
   38    33   -40    47   0.07850  1.0 1.0
   38    33   -40    47  -0.03950 -1.0 2.0
   38    33   -40    47   0.67350  1.0 3.0
   38    40    45    46   0.30150 -1.0 2.0
   38    40    45    50   1.39750  1.0 1.0
   38    40    45    50  -0.07950 -1.0 2.0
   38    40    45    50  -0.18750  1.0 3.0
   38    40    47    48   0.15000  1.0 3.0
   38    40    47    49   0.15000  1.0 3.0
   38    40    47    52   0.07850  1.0 1.0
   38    40    47    52  -0.03950 -1.0 2.0
   38    40    47    52   0.67350  1.0 3.0
   39    38   -40    33   0.15000  1.0 3.0
   39    38    40    45  -0.11250  1.0 3.0
   39    38    40    47   0.15000  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    33   -38    39   0.15000  1.0 3.0
   40    33   -38    41   0.07850  1.0 1.0
   40    33   -38    41  -0.03950 -1.0 2.0
   40    33   -38    41   0.67350  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
   40    45    50    51   2.45000 -1.0 2.0
   40    45    50    56   1.49850  1.0 1.0
   40    45    50    56   1.53950 -1.0 2.0
   40    47    52    53   0.15000  1.0 3.0
   40    47    52    54   0.15000  1.0 3.0
   40    47    52    55   0.15000  1.0 3.0
   45    40    47    48  -0.11250  1.0 3.0
   45    40    47    49  -0.11250  1.0 3.0
   45    40    47    52  -0.95700  1.0 1.0
   45    40    47    52  -0.18200 -1.0 2.0
   45    40    47    52   0.29450  1.0 3.0
   45    50    56    57   0.00000  1.0 1.0
   45    50    56    58  -0.69800  1.0 1.0
   45    50    56    58  -0.21350 -1.0 2.0
   45    50    56    59  -0.43950  1.0 1.0
   45    50    56    59  -0.08100 -1.0 2.0
   45    50    56    59   0.03350  1.0 3.0
   46    45    50    51   2.45000 -1.0 2.0
   46    45    50    56   3.04450 -1.0 2.0
   50    56    58    63  -0.24500  1.0 1.0
   50    56    58    63   0.48300 -1.0 2.0
   50    56    58    63   0.08900  1.0 3.0
   50    56    58    71  -0.24500  1.0 1.0
   50    56    58    71   0.48300 -1.0 2.0
   50    56    58    71   0.08900  1.0 3.0
   50    56    59    60   0.15000  1.0 3.0
   50    56    59    61   0.15000  1.0 3.0
   50    56    59    62   0.15000  1.0 3.0
   51    50    56    57   0.00000  1.0 1.0
   51    50    56    58   0.00000  1.0 1.0
   51    50    56    59   0.00000  1.0 1.0
   56    58    63    64   3.62500 -1.0 2.0
   56    58    63    65   3.62500 -1.0 2.0
   56    58    71    69   3.62500 -1.0 2.0
   56    58    71    72   3.62500 -1.0 2.0
   57    56    58    63   0.00000  1.0 1.0
   57    56    58    71   0.00000  1.0 1.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    62   0.15000  1.0 3.0
   58    56    59    60   0.43200  1.0 3.0
   58    56    59    61   0.43200  1.0 3.0
   58    56    59    62   0.43200  1.0 3.0
   58    63    65    66   3.62500 -1.0 2.0
   58    63    65    67   3.62500 -1.0 2.0
   63    58    71    69   3.62500 -1.0 2.0
   63    58    71    72   3.62500 -1.0 2.0
   63    65    67    68   3.62500 -1.0 2.0
   63    65   -67    69   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   65    67    69    70   3.62500 -1.0 2.0
   65    67    69    71   3.62500 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    69   3.62500 -1.0 2.0
   67    69   -71    58   3.62500 -1.0 2.0
   67    69    71    72   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   70    69    71    58   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   71    58    63    64   3.62500 -1.0 2.0
   71    58   -63    65   3.62500 -1.0 2.0
   59    56    58    63   0.04150 -1.0 2.0
   59    56    58    71   0.04150 -1.0 2.0
   47    40    45    46   0.30150 -1.0 2.0
   47    40    45    50   1.39750  1.0 1.0
   47    40    45    50  -0.07950 -1.0 2.0
   47    40    45    50  -0.18750  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    54   0.15000  1.0 3.0
   48    47    52    55   0.15000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    54   0.15000  1.0 3.0
   49    47    52    55   0.15000  1.0 3.0
   41    38   -40    33   0.07850  1.0 1.0
   41    38   -40    33  -0.03950 -1.0 2.0
   41    38   -40    33   0.67350  1.0 3.0
   41    38    40    45  -0.95700  1.0 1.0
   41    38    40    45  -0.18200 -1.0 2.0
   41    38    40    45   0.29450  1.0 3.0
   41    38    40    47   0.56750  1.0 1.0
   41    38    40    47  -0.07550 -1.0 2.0
   41    38    40    47   0.20000  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
   40    50    45    46  10.50000 -1.0 2.0
   51    45    50    56   1.00000 -1.0 2.0
   63    71    58    56   4.00000 -1.0 2.0
   65    64    63    58   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   69    68    67    65   4.00000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   69    72    71    58   1.10000 -1.0 2.0
END
