* LIGAND DATABASE FILE (OPLS2005)
*
001      59    59    104    158     306
    1     0 S   NP   _N1_     1    28.79313    95.54975   -23.71594
    2     1 S   H    _HN1     2     1.02948    78.07898     4.88768
    3     1 S   H    _H1_     3     1.02828    30.94017   164.28289
    4     1 S   H    _H2_     4     1.02789   107.99884  -100.78043
    5     1 S   CT   _CA1     5     1.50117   132.85897   111.76435
    6     5 S   HC   _HA1     6     1.09572   105.18434    85.14009
    7     5 S   CO3  _C1_     7     1.53780   112.46752   -35.10129
    8     7 S   O2Z  _O11     8     1.26375   115.00449   -42.44512
    9     7 S   O2Z  _O12     9     1.26236   114.94636   136.65010
   10     5 S   CT   _CB1    10     1.53071   107.41793  -156.86389
   11    10 S   HC   HB11    11     1.09837   109.37017   -49.44359
   12    10 S   HC   HB12    12     1.09811   110.45322    67.16309
   13    10 S   CT   _CG1    13     1.53004   112.61770  -170.39246
   14    13 S   HC   HG11    14     1.09575   110.68879   -66.24454
   15    13 S   HC   HG12    15     1.09670   109.73847    52.99902
   16    13 S   C    _CD1    16     1.51802   112.11522   173.48443
   17    16 S   O    _OE1    17     1.22743   123.24336     9.71703
   18    16 S   N    _N2_    18     1.38653   111.75806  -170.40476
   19    18 S   H    _HN2    19     1.01589   118.95966     1.50922
   20    18 S   CT1  _CA2    20     1.46204   123.38113   177.03456
   21    20 S   HC   _HA2    21     1.09736   109.32171     5.55591
   22    20 S   C    _C2_    22     1.53613   108.79156  -109.96297
   23    22 S   O    _O2_    23     1.23072   122.22146  -148.61190
   24    20 S   CT   _CB2    32     1.53295   111.57738   127.54057
   25    24 S   HC   HB21    33     1.09603   110.03386    57.12457
   26    24 S   HC   HB22    34     1.09586   110.24149   175.60939
   27    22 S   N    _N3_    24     1.38311   113.81660    38.86150
   28    27 S   H    _HN3    25     1.01560   119.61193    -3.24341
   29    24 S   S    _SG2    35     1.82557   111.58892   -64.41513
   30    27 S   CT   _CA3    26     1.45283   123.25691   177.19998
   31    30 S   HC   HA31    27     1.09547   107.51069   -64.85330
   32    30 S   HC   HA32    28     1.09556   107.99684    51.60158
   33    29 S   CM   _C5_    36     1.72417    99.76724  -179.39219
   34    30 S   CO3  _C3_    29     1.52971   114.04830   173.61012
   35    34 S   O2Z  _O31    30     1.26381   116.06955    -0.25944
   36    34 S   O2Z  _O32    31     1.26425   114.41449   179.79826
   37    33 S   CM   _C4_    37     1.33788   122.77068   110.17134
   38    37 S   HC   _H5_    38     1.08564   121.78931    -0.29608
   39    37 S   NE   _N5_    39     1.38137   124.75429  -179.96574
   40    39 S   CT   _C7_    40     1.45611   119.61359    12.05408
   41    40 S   HC   _H3_    41     1.09482   111.53843  -144.90557
   42    39 S   CT   _C8_    48     1.46577   122.67745  -176.19687
   43    42 S   HC   _H7_    49     1.09800   110.25369  -157.60850
   44    42 S   HC   _H8_    50     1.09809   108.62565   -42.16118
   45    40 S   N    _N4_    42     1.44966   111.13531   -25.38120
   46    45 S   H    _H6_    43     1.01378   117.53191  -162.31577
   47    40 S   OH   _O36    46     1.41911   110.46196    94.22923
   48    47 S   HO   _H12    47     0.97110   106.23227  -160.61478
   49    42 S   CT   _C9_    51     1.53347   111.21818    79.36455
   50    49 S   HC   _H4_    52     1.09562   111.50281   -50.11188
   51    33 S   C    _C6_    44     1.49417   119.09123   -74.68116
   52    51 S   O    _O33    45     1.22931   122.24665    -2.88310
   53    49 S   CO3  _C10    53     1.53651   109.21680    72.18854
   54    53 S   O2Z  _O35    54     1.26414   114.90306    76.59165
   55    53 S   O2Z  _O34    55     1.26199   115.14859  -104.18121
   56    49 S   NP   _N6_    56     1.50207   107.99080  -165.23427
   57    56 S   H    _H9_    57     1.02862   110.57509   178.03198
   58    56 S   H    _H10    58     1.02790   112.34502    57.61360
   59    56 S   H    _H11    59     1.02970   110.59118   -63.71569
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   7   5   4   3
   9   2   1   1  12   4  14  11   6  13   5   4   5   3   2   1
   8   7   1   1   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    45    51    52  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    45    46    51    52    42  
   35    36  
   36  
    0  
   38    39    40    41    45    51    52    47    42    43    44    49  
   39    40    51    42  
   40    41    45    46    51    47    48    42    43    44    49    50    53    56  
   41    45    46    51    52    47    48    42    43    44    49  
   45    46    51    47    48    42  
   43    44    49    50    53    54    55    56    57    58    59    45    47  
   44    49    50    53    56  
   49    50    53    56  
   46    51    52    47    48  
   51    52    47  
   48    51  
    0  
   50    53    54    55    56    57    58    59  
   53    54    55    56    57    58    59  
   52  
    0  
   54    55    56    57    58    59  
   55    56  
   56  
   57    58    59  
   58    59  
   59  
    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   3.5500   0.0760  -0.049200   2.0020   1.7750   0.023028004  -0.852763146
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.2500   0.1700  -0.488600   1.9050   1.6860   0.051222218  -2.220205820
   40   3.5000   0.0660   0.640300   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   44   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   46   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   53   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   54   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   55   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   56   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   57   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   58   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   59   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   240.000  1.763
   33    37   549.000  1.340
   33    51   410.000  1.444
   37    38   340.000  1.080
   37    39   425.000  1.378
   39    40   382.000  1.448
   39    42   382.000  1.448
   40    41   340.000  1.090
   40    45   337.000  1.449
   40    47   320.000  1.410
   45    46   434.000  1.010
   45    51   490.000  1.335
   51    52   570.000  1.229
   47    48   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    49   268.000  1.529
   49    50   340.000  1.090
   49    53   317.000  1.522
   49    56   367.000  1.471
   53    54   656.000  1.250
   53    55   656.000  1.250
   56    57   434.000  1.010
   56    58   434.000  1.010
   56    59   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    51    80.00000  108.38000
   33    37    38    35.00000  120.00000
   33    37    39    70.00000  124.03900
   33    51    45    80.00000  111.56200
   33    51    52    80.00000  125.30000
   37    39    40    50.00000  121.00000
   37    39    42    50.00000  121.00000
   39    37    38    50.00000  112.30800
   39    40    41    35.00000  109.50000
   39    40    45    90.00000  107.82800
   39    40    47    95.00000  114.90300
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    49    80.00000  111.61500
   40    45    46    38.00000  118.40000
   40    45    51    50.00000  121.90000
   40    47    48    55.00000  108.50000
   45    40    41    35.00000  109.50000
   45    51    52    80.00000  122.90000
   51    33    37    70.00000  118.70000
   51    45    46    35.00000  119.80000
   47    40    41    35.00000  109.50000
   47    40    45    95.00000  111.01700
   42    39    40    50.00000  115.00000
   42    49    50    37.50000  110.70000
   42    49    53    70.00000  109.69300
   42    49    56    80.00000  111.20000
   44    42    43    33.00000  107.80000
   49    42    43    37.50000  110.70000
   49    42    44    37.50000  110.70000
   49    53    54    70.00000  117.00000
   49    53    55    70.00000  117.00000
   49    56    57    35.00000  109.50000
   49    56    58    35.00000  109.50000
   49    56    59    35.00000  109.50000
   53    49    50    35.00000  109.50000
   55    53    54    80.00000  126.00000
   56    49    50    35.00000  109.50000
   56    49    53    80.00000  109.26000
   58    56    57    35.00000  109.50000
   59    56    57    35.00000  109.50000
   59    56    58    35.00000  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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   1.00000 -1.0 2.0
   24    29    33    51   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   7.00000 -1.0 2.0
   29    33    37    39   7.00000 -1.0 2.0
   29    33    51    45   1.50000 -1.0 2.0
   29    33    51    52  -0.52200  1.0 1.0
   29    33    51    52   0.82950 -1.0 2.0
   33    37    39    40  -0.54700  1.0 1.0
   33    37    39    40   1.23000 -1.0 2.0
   33    37    39    42  -0.54700  1.0 1.0
   33    37    39    42   1.23000 -1.0 2.0
   37    33    51    45   0.49500  1.0 1.0
   37    33    51    45   1.31600 -1.0 2.0
   37    33    51    45  -0.02300  1.0 3.0
   37    33    51    52   1.00000 -1.0 2.0
   37    39    40    41   0.00000  1.0 1.0
   37    39   -40    45  -0.12500  1.0 1.0
   37    39   -40    45  -0.12500 -1.0 2.0
   37    39   -40    45   0.25000  1.0 3.0
   37    39    40    47   0.75000  1.0 1.0
   37    39    40    47  -0.75000 -1.0 2.0
   37    39    42    43   0.00000  1.0 1.0
   37    39    42    44   0.00000  1.0 1.0
   37    39    42    49   0.25450  1.0 1.0
   37    39    42    49  -0.61700 -1.0 2.0
   37    39    42    49  -0.23550  1.0 3.0
   38    37    39    40   0.00000  1.0 1.0
   38    37    39    42   0.00000  1.0 1.0
   39    40    45    46   0.00000  1.0 1.0
   39    40    45    51  -0.50000 -1.0 2.0
   39    40    47    48   0.09550  1.0 1.0
   39    40    47    48   0.17350 -1.0 2.0
   39    40    47    48  -0.55000  1.0 3.0
   39    42    49    50   0.22950  1.0 3.0
   39    42    49    53  -4.61400  1.0 1.0
   39    42    49    56   2.45700  1.0 1.0
   39    42    49    56   1.17300 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    49   0.00000  1.0 1.0
   40    45   -51    33   1.49850  1.0 1.0
   40    45   -51    33   1.53950 -1.0 2.0
   40    45    51    52   3.04450 -1.0 2.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    51   0.00000  1.0 1.0
   41    40    47    48   0.19450  1.0 3.0
   45    40    47    48   0.09550  1.0 1.0
   45    40    47    48   0.17350 -1.0 2.0
   45    40    47    48  -0.55000  1.0 3.0
   46    45    51    33   2.56700 -1.0 2.0
   46    45    51    52   2.45000 -1.0 2.0
   51    33    37    38   7.00000 -1.0 2.0
   51    33   -37    39   7.00000 -1.0 2.0
   47    40    45    46   0.00000  1.0 1.0
   47    40    45    51  -5.15550  1.0 1.0
   47    40    45    51  -0.87850 -1.0 2.0
   42    39    40    41   0.00000  1.0 1.0
   42    39    40    45   0.00000  1.0 1.0
   42    39    40    47   0.00000  1.0 1.0
   42    49    53    54   0.41150 -1.0 2.0
   42    49    53    55   0.41150 -1.0 2.0
   42    49    56    57   0.17350  1.0 3.0
   42    49    56    58   0.17350  1.0 3.0
   42    49    56    59   0.17350  1.0 3.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    53  -0.11250  1.0 3.0
   43    42    49    56   0.19200  1.0 3.0
   44    42    49    50   0.15000  1.0 3.0
   44    42    49    53  -0.11250  1.0 3.0
   44    42    49    56   0.19200  1.0 3.0
   50    49    53    54   0.00000  1.0 1.0
   50    49    53    55   0.00000  1.0 1.0
   50    49    56    57   0.13050  1.0 3.0
   50    49    56    58   0.13050  1.0 3.0
   50    49    56    59   0.13050  1.0 3.0
   53    49    56    57   0.17350  1.0 3.0
   53    49    56    58   0.17350  1.0 3.0
   53    49    56    59   0.17350  1.0 3.0
   56    49    53    54   0.30150 -1.0 2.0
   56    49    53    55   0.30150 -1.0 2.0
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
   35    30    34    36  10.50000 -1.0 2.0
   29    51    33    37   1.10000 -1.0 2.0
   39    38    37    33   1.10000 -1.0 2.0
   42    37    39    40   1.00000 -1.0 2.0
   46    51    45    40   1.00000 -1.0 2.0
   33    45    51    52  10.50000 -1.0 2.0
   54    49    53    55  10.50000 -1.0 2.0
END
