* LIGAND DATABASE FILE (OPLS2005)
*
001      70    71    126    188     365
    1     0 S   NP   _N1_     1    28.59818    94.31126   -23.12900
    2     1 S   H    _HN1     2     1.02781   103.12611   -99.54806
    3     1 S   H    _H1_     3     1.02956    85.56091     8.27868
    4     1 S   H    _H2_     4     1.02834    25.40689   156.29228
    5     1 S   CT   _CA1     5     1.50124   132.85029   122.13411
    6     5 S   HC   _HA1     6     1.09577   105.19530    73.99652
    7     5 S   CO3  _C1_     7     1.53767   112.48013   -46.16436
    8     7 S   O2Z  _O11     8     1.26364   114.99146   -41.80442
    9     7 S   O2Z  _O12     9     1.26241   114.92345   137.33631
   10     5 S   CT   _CB1    10     1.53093   107.42806  -168.09105
   11    10 S   HC   HB11    11     1.09829   109.25386   -50.59570
   12    10 S   HC   HB12    12     1.09814   110.45584    65.95614
   13    10 S   CT   _CG1    13     1.53005   112.68954  -171.67013
   14    13 S   HC   HG11    14     1.09589   110.53546   -66.04699
   15    13 S   HC   HG12    15     1.09662   109.85227    53.16637
   16    13 S   C    _CD1    16     1.51824   112.33276   173.46673
   17    16 S   O    _OE1    17     1.22709   123.30031     2.12578
   18    16 S   N    _N2_    18     1.38612   111.62397  -177.41714
   19    18 S   H    _HN2    19     1.01489   119.00657     0.09691
   20    18 S   CT1  _CA2    20     1.46177   123.61631   178.44254
   21    20 S   HC   _HA2    21     1.09704   109.20986     8.60220
   22    20 S   C    _C2_    22     1.53746   109.56926  -107.61542
   23    22 S   O    _O2_    23     1.23110   121.87426  -151.26778
   24    20 S   CT   _CB2    32     1.53143   111.30710   130.40829
   25    24 S   HC   HB21    33     1.09468   110.04803    59.18544
   26    24 S   HC   HB22    34     1.09501   110.75953   178.00669
   27    22 S   N    _N3_    24     1.38385   114.23423    36.06294
   28    27 S   H    _HN3    25     1.01408   119.21233     0.53778
   29    24 S   S    _SG2    35     1.81875   112.84981   -61.01324
   30    27 S   CT   _CA3    26     1.45439   123.19216   176.34752
   31    30 S   HC   HA31    27     1.09547   108.99007    29.95653
   32    30 S   HC   HA32    28     1.09478   107.19542   146.86317
   33    29 S   P2   _P2_    36     2.12429   104.25740  -177.73825
   34    33 S   O2Z  _O41    37     1.51259   105.69348    72.97931
   35    33 S   O2Z  _O40    38     1.51198   105.83025  -157.21985
   36    30 S   CO3  _C3_    29     1.52895   113.22864   -93.50928
   37    36 S   O2Z  _O31    30     1.26404   115.41684   -45.44336
   38    36 S   O2Z  _O32    31     1.26363   114.99414   135.53527
   39    33 S   OS   _O39    39     1.62788   104.93387   -41.79269
   40    39 S   P2   _P1_    40     1.62701   130.60777  -168.23898
   41    40 S   O2Z  _O38    41     1.51242   109.13640    81.41204
   42    40 S   O2Z  _O37    42     1.51197   109.10141   -52.84839
   43    40 S   OS   _O36    43     1.63472    98.91293  -165.00356
   44    43 S   CT   _C12    44     1.41878   119.26570   -67.04742
   45    44 S   HC   _H10    45     1.09549   109.48521   -66.69938
   46    44 S   HC   _H11    46     1.09545   110.37774    50.76090
   47    44 S   CT   _C11    47     1.52103   109.04150   173.04819
   48    47 S   HC   _H6_    48     1.09807   109.29471    66.65189
   49    47 S   CT   _C10    49     1.52610   115.71310   -56.27162
   50    49 S   HC   _H5_    50     1.09446   113.29900    81.53741
   51    49 S   CT   _C9_    51     1.51657   101.01028  -158.07054
   52    51 S   HC   _H4_    52     1.09771   108.28362   -80.46921
   53    49 S   OH   _O42    69     1.42050   111.90709   -40.80605
   54    53 S   HO   _H12    70     0.97359   107.24764    74.90477
   55    51 S   CO   _C8_    53     1.53455   103.67809    34.22869
   56    55 S   HC   _H3_    54     1.09680   108.72719  -136.25686
   57    51 S   OH   _O43    67     1.41295   114.18134   159.53127
   58    57 S   HO   _H13    68     0.97234   107.83341    37.99584
   59    55 S   N*   _N4_    55     1.47019   115.24913   103.13538
   60    47 S   OS   _O35    66     1.44084   109.70219  -176.36875
   61    59 S   CM   _C5_    56     1.38193   120.91814   -92.25996
   62    61 S   HC   _H8_    57     1.08374   117.25838    -0.75589
   63    61 S   CM   _C4_    58     1.33456   123.12209   179.61999
   64    63 S   HC   _H7_    59     1.08142   122.31625   179.30846
   65    63 S   C    _C7_    60     1.47328   119.43459    -0.79574
   66    65 S   O    _O34    61     1.22675   120.95200   179.72589
   67    65 S   NNB  _N5_    62     1.38021   114.73165    -0.19584
   68    67 S   H    _H9_    63     1.01437   116.80579  -179.58035
   69    59 S   C    _C6_    64     1.40640   117.97835    86.05856
   70    69 S   O    _O33    65     1.23283   124.36710     1.14021
  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   5   5   4   3
   7   3   2   2   1   1   5   7   3   2   7  10   5   4  12   6
  11   7  11   7   4   1  11   5   3   1  10   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43  
   35    39    40  
   39    40  
   37    38  
   38  
    0  
   40    41    42    43    44  
   41    42    43    44    45    46    47  
   42    43    44  
   43    44  
   44    45    46    47    48    49    60  
   45    46    47    48    49    50    51    55    60    53  
   46    47    48    49    60  
   47    48    49    60  
   48    49    50    51    52    55    56    59    60    57    53    54  
   49    50    51    55    60    53  
   50    51    52    55    56    59    60    57    58    53    54  
   51    52    55    60    57    53    54  
   52    55    56    59    61    69    60    57    58    53    54  
   55    56    59    60    57    58    53  
   54    55    57    60  
    0  
   56    59    61    62    63    67    69    70    60    57    58  
   59    61    69    60    57  
   58    59    60  
    0  
   61    62    63    64    65    67    68    69    70    60  
   61    69  
   62    63    64    65    66    67    69    70  
   63    64    65    69  
   64    65    66    67    68    69  
   65    66    67  
   66    67    68    69    70  
   67    68    69  
   68    69    70  
   69    70  
   70  
    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  -0.112500   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  -0.105000   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   3.7400   0.2000   1.048600   2.1070   1.8700   0.005000000   0.000000000
   34   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   35   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   2.8500   0.1400  -0.022200   1.5900   1.4000   0.020110767  -0.896042159
   40   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   41   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   42   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   43   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.510000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0500   0.100000   1.3810   1.2100   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.2500   0.1700  -0.600000   1.8100   1.6000   0.054801302  -1.445846770
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0800   0.080000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0800  -0.070000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.450000   1.9250   1.7000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.420000   1.5250   1.4250   0.001000000  -1.480495490
   67   3.2500   0.1700  -0.510000   1.8100   1.6000   0.054801302  -1.445846770
   68   0.5000   0.0300   0.360000   1.5900   1.4000   0.030040813  -0.651083722
   69   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.400000   1.5250   1.4250   0.001000000  -1.480495490
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   145.000  2.163
   33    34   525.000  1.480
   33    35   525.000  1.480
   33    39   230.000  1.697
   39    40   230.000  1.697
   40    41   525.000  1.480
   40    42   525.000  1.480
   40    43   230.000  1.697
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    60   320.000  1.410
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    53   320.000  1.410
   51    52   340.000  1.090
   51    55   250.000  1.527
   51    57   320.000  1.410
   55    56   340.000  1.090
   55    59   275.000  1.479
   55    60   320.000  1.380
   59    61   448.000  1.365
   59    69   418.000  1.388
   61    62   340.000  1.080
   61    63   549.000  1.340
   63    64   340.000  1.080
   63    65   410.000  1.444
   65    66   570.000  1.229
   65    67   418.000  1.388
   67    68   434.000  1.010
   67    69   418.000  1.388
   69    70   570.000  1.229
   57    58   553.000  0.945
   53    54   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    75.00000  100.00000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    80.00000  114.00000
   29    33    35    80.00000  114.00000
   29    33    39    85.00000  111.00000
   33    39    40    50.00000  132.62000
   35    33    34   140.00000  119.90000
   39    33    34   100.00000  108.23000
   39    33    35   100.00000  108.23000
   39    40    41   100.00000  108.23000
   39    40    42   100.00000  108.23000
   39    40    43    45.00000  102.60000
   40    43    44   100.00000  120.50000
   42    40    41   140.00000  119.90000
   43    40    41   100.00000  108.23000
   43    40    42   100.00000  108.23000
   43    44    45    35.00000  109.50000
   43    44    46    35.00000  109.50000
   43    44    47    50.00000  109.50000
   44    47    48    37.50000  110.70000
   44    47    49    58.35000  112.70000
   44    47    60    50.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    51    58.35000  112.70000
   47    49    53    50.00000  109.50000
   47    60    55    60.00000  109.50000
   49    47    48    37.50000  110.70000
   49    51    52    37.50000  110.70000
   49    51    55    75.00000  109.43000
   49    51    57    50.00000  109.50000
   49    53    54    55.00000  108.50000
   51    49    50    37.50000  110.70000
   51    55    56    45.00000  112.01100
   51    55    59    75.00000  107.44000
   51    55    60    90.00000  108.56700
   51    57    58    55.00000  108.50000
   55    51    52    45.00000  108.72000
   55    59    61    70.00000  121.20000
   55    59    69    70.00000  117.60000
   59    55    56    55.00000  103.44000
   59    61    62    35.00000  119.10000
   59    61    63    70.00000  121.20000
   59    69    67    70.00000  118.60000
   59    69    70    80.00000  120.60000
   61    63    64    35.00000  120.00000
   61    63    65    70.00000  118.70000
   63    61    62    35.00000  120.00000
   63    65    66    80.00000  125.30000
   63    65    67    70.00000  114.10000
   65    63    64    35.00000  119.70000
   65    67    68    35.00000  116.80000
   65    67    69    70.00000  126.40000
   67    65    66    80.00000  120.60000
   67    69    70    80.00000  120.60000
   69    59    61    70.00000  121.60000
   69    67    68    35.00000  116.80000
   60    47    48    35.00000  109.50000
   60    47    49    50.00000  109.50000
   60    55    56    35.00000  109.50000
   60    55    59   105.00000  106.22000
   57    51    52    35.00000  109.50000
   57    51    55    90.00000  111.58700
   53    49    50    35.00000  109.50000
   53    49    51    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.00000  1.0 1.0
   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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.15000  1.0 3.0
   24    29    33    35   0.15000  1.0 3.0
   24    29    33    39   0.15000  1.0 3.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   33    39    40    41   0.50000  1.0 3.0
   33    39    40    42   0.50000  1.0 3.0
   33    39    40    43   0.15000  1.0 3.0
   34    33    39    40   0.50000  1.0 3.0
   35    33    39    40   0.50000  1.0 3.0
   39    40    43    44   0.05050  1.0 1.0
   39    40    43    44  -1.30700 -1.0 2.0
   39    40    43    44   0.91550  1.0 3.0
   40    43    44    45   0.03000  1.0 3.0
   40    43    44    46   0.03000  1.0 3.0
   40    43    44    47  -2.65550  1.0 1.0
   40    43    44    47  -0.22350 -1.0 2.0
   40    43    44    47   0.24150  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   42    40    43    44   0.00000  1.0 1.0
   43    44    47    48   0.23400  1.0 3.0
   43    44    47    49   0.62750  1.0 1.0
   43    44    47    49  -0.30950 -1.0 2.0
   43    44    47    49   0.27300  1.0 3.0
   43    44    47    60   1.11900  1.0 1.0
   43    44    47    60  -1.16350 -1.0 2.0
   43    44    47    60  -0.34150  1.0 3.0
   44    47    49    50   0.15000  1.0 3.0
   44    47    49    51   0.56750  1.0 1.0
   44    47    49    51  -0.07550 -1.0 2.0
   44    47    49    51   0.20000  1.0 3.0
   44    47    49    53   0.86500  1.0 1.0
   44    47    49    53  -0.17500 -1.0 2.0
   44    47    49    53   0.20800  1.0 3.0
   44    47    60    55   0.06250  1.0 1.0
   44    47    60    55  -0.01100 -1.0 2.0
   44    47    60    55   0.28050  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    60   0.23400  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   46    44    47    60   0.23400  1.0 3.0
   47    49    51    52   0.15000  1.0 3.0
   47    49   -51    55   3.97050  1.0 1.0
   47    49    51    57   0.86500  1.0 1.0
   47    49    51    57  -0.17500 -1.0 2.0
   47    49    51    57   0.20800  1.0 3.0
   47    49    53    54  -0.11600  1.0 1.0
   47    49    53    54  -0.09450 -1.0 2.0
   47    49    53    54   0.21250  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    53   0.23400  1.0 3.0
   48    47    60    55   0.37050  1.0 3.0
   49    47   -60    55   0.06250  1.0 1.0
   49    47   -60    55  -0.01100 -1.0 2.0
   49    47   -60    55   0.28050  1.0 3.0
   49    51    55    56   0.15000  1.0 3.0
   49    51    55    59  -0.27100  1.0 1.0
   49    51    55    59  -0.01700 -1.0 2.0
   49    51    55    59  -0.48600  1.0 3.0
   49    51   -55    60   0.62750  1.0 1.0
   49    51   -55    60  -0.30950 -1.0 2.0
   49    51   -55    60   0.27300  1.0 3.0
   49    51    57    58  -0.11600  1.0 1.0
   49    51    57    58  -0.09450 -1.0 2.0
   49    51    57    58   0.21250  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    55   0.15000  1.0 3.0
   50    49    51    57   0.23400  1.0 3.0
   50    49    53    54   0.19450  1.0 3.0
   51    49    53    54  -0.11600  1.0 1.0
   51    49    53    54  -0.09450 -1.0 2.0
   51    49    53    54   0.21250  1.0 3.0
   51    55    59    61   2.08450  1.0 1.0
   51    55    59    61  -0.39300 -1.0 2.0
   51    55    59    61   0.23400  1.0 3.0
   51    55    59    69  -0.43950  1.0 1.0
   51    55    59    69  -0.08100 -1.0 2.0
   51    55    59    69   0.03350  1.0 3.0
   51    55   -60    47   0.06250  1.0 1.0
   51    55   -60    47  -0.01100 -1.0 2.0
   51    55   -60    47   0.28050  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    59   0.15000  1.0 3.0
   52    51    55    60   0.23400  1.0 3.0
   52    51    57    58   0.19450  1.0 3.0
   55    51    57    58  -0.11600  1.0 1.0
   55    51    57    58  -0.09450 -1.0 2.0
   55    51    57    58   0.21250  1.0 3.0
   55    59    61    62   1.88100 -1.0 2.0
   55    59    61    63  -0.88150  1.0 1.0
   55    59    61    63   2.95600 -1.0 2.0
   55    59    69    67   3.62500 -1.0 2.0
   55    59    69    70   3.04450 -1.0 2.0
   56    55    59    61   0.00000  1.0 1.0
   56    55    59    69   0.00000  1.0 1.0
   56    55    60    47   0.37050  1.0 3.0
   59    55    60    47  -2.37750  1.0 1.0
   59    55    60    47  -0.08150 -1.0 2.0
   59    55    60    47   0.59000  1.0 3.0
   59    61    63    64   7.00000 -1.0 2.0
   59    61    63    65   7.00000 -1.0 2.0
   61    59    69    67   3.62500 -1.0 2.0
   61    59    69    70   2.67200 -1.0 2.0
   61    63    65    66   1.00000 -1.0 2.0
   61    63   -65    67   1.50000 -1.0 2.0
   62    61    63    64   7.00000 -1.0 2.0
   62    61    63    65   7.00000 -1.0 2.0
   63    65    67    68   1.52500 -1.0 2.0
   63    65    67    69   7.00000 -1.0 2.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    67   7.00000 -1.0 2.0
   65    67   -69    59   3.00000 -1.0 2.0
   65    67    69    70   3.04450 -1.0 2.0
   66    65    67    68   2.45000 -1.0 2.0
   66    65    67    69   3.04450 -1.0 2.0
   68    67    69    59   2.56700 -1.0 2.0
   68    67    69    70   2.45000 -1.0 2.0
   69    59    61    62   1.44600  1.0 1.0
   69    59   -61    63  -0.18900  1.0 1.0
   69    59   -61    63   1.70900 -1.0 2.0
   60    47    49    50   0.23400  1.0 3.0
   60    47   -49    51   0.62750  1.0 1.0
   60    47   -49    51  -0.30950 -1.0 2.0
   60    47   -49    51   0.27300  1.0 3.0
   60    47    49    53   3.69350  1.0 1.0
   60    47    49    53  -1.82950 -1.0 2.0
   60    55    59    61  -0.28000  1.0 1.0
   60    55    59    61  -1.16550 -1.0 2.0
   60    55    59    69  -2.75650  1.0 1.0
   60    55    59    69  -1.18150 -1.0 2.0
   60    55    59    69   0.81900  1.0 3.0
   57    51    55    56   0.23400  1.0 3.0
   57    51    55    59   2.76900  1.0 1.0
   57    51    55    59  -0.24350 -1.0 2.0
   57    51    55    59  -0.78250  1.0 3.0
   57    51    55    60   3.69350  1.0 1.0
   57    51    55    60  -1.82950 -1.0 2.0
   53    49    51    52   0.23400  1.0 3.0
   53    49    51    55   0.86500  1.0 1.0
   53    49    51    55  -0.17500 -1.0 2.0
   53    49    51    55   0.20800  1.0 3.0
   53    49    51    57   3.75450  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   61    69    59    55   1.00000 -1.0 2.0
   59    62    61    63   1.10000 -1.0 2.0
   65    64    63    61   1.10000 -1.0 2.0
   63    67    65    66  10.50000 -1.0 2.0
   68    65    67    69   1.00000 -1.0 2.0
   59    67    69    70  10.50000 -1.0 2.0
END
