* LIGAND DATABASE FILE (OPLS2005)
*
001      61    62    118    183     335
    1     0 S   NP   _N1_     1    28.72119    96.06974   -22.98087
    2     1 S   H    _HN1     2     1.02950    75.13362    10.43662
    3     1 S   H    _H1_     3     1.02828    36.58654   160.58955
    4     1 S   H    _H2_     4     1.02785   102.09059   -95.61243
    5     1 S   CT   _CA1     5     1.50113   140.35882   114.61565
    6     5 S   HC   _HA1     6     1.09573   105.19773    86.51181
    7     5 S   CO3  _C1_     7     1.53787   112.45720   -33.72469
    8     7 S   O2Z  _O11     8     1.26372   115.00543   -42.60817
    9     7 S   O2Z  _O12     9     1.26240   114.94874   136.52568
   10     5 S   CT   _CB1    10     1.53081   107.42232  -155.50523
   11    10 S   HC   HB11    11     1.09833   109.37286   -49.75231
   12    10 S   HC   HB12    12     1.09813   110.44563    66.85490
   13    10 S   CT   _CG1    13     1.52991   112.60712  -170.73312
   14    13 S   HC   HG11    14     1.09582   110.62426   -65.54720
   15    13 S   HC   HG12    15     1.09670   109.79162    53.68278
   16    13 S   C    _CD1    16     1.51802   112.23498   174.13402
   17    16 S   O    _OE1    17     1.22731   123.29270     6.61361
   18    16 S   N    _N2_    18     1.38661   111.67122  -173.46613
   19    18 S   H    _HN2    19     1.01580   118.92909     1.75814
   20    18 S   CT1  _CA2    20     1.46196   123.38508   177.48596
   21    20 S   HC   _HA2    21     1.09738   109.36548     2.88317
   22    20 S   C    _C2_    22     1.53574   108.61990  -112.58421
   23    22 S   O    _O2_    23     1.23062   122.26754  -147.96730
   24    20 S   CT   _CB2    32     1.53454   111.64791   124.90449
   25    24 S   HC   HB21    33     1.09476   109.68854    56.15624
   26    24 S   HC   HB22    34     1.09406   109.78749   175.01658
   27    22 S   N    _N3_    24     1.38322   113.72930    39.47424
   28    27 S   H    _HN3    25     1.01583   119.59786    -3.31275
   29    24 S   S    _SG2    35     1.82957   111.29178   -64.63591
   30    27 S   CT   _CA3    26     1.45291   123.21445   177.13502
   31    30 S   HC   HA31    27     1.09549   107.50643   -64.66289
   32    30 S   HC   HA32    28     1.09557   107.98896    51.77657
   33    29 S   CT   _C10    36     1.84003   101.24234  -173.09470
   34    30 S   CO3  _C3_    29     1.52962   114.07964   173.77600
   35    34 S   O2Z  _O31    30     1.26378   116.06441    -0.69041
   36    34 S   O2Z  _O32    31     1.26428   114.41313   179.37162
   37    33 S   CT   _C11    37     1.54846   112.86325    60.09501
   38    37 S   HC   _H13    38     1.09573   112.72961    21.87674
   39    37 S   HC   _H14    39     1.09388   112.60619  -102.61704
   40    33 S   CT   _C13    58     1.53512   110.46992   -64.72499
   41    40 S   HC   _H15    59     1.09635   111.68553   -55.39634
   42    40 S   HC   _H16    60     1.09601   110.82321  -174.23891
   43    40 S   HC   _H17    61     1.09450   112.24092    66.51475
   44    37 S   CO4  _C12    40     1.51353   104.85666   137.74862
   45    44 S   O    _O33    41     1.22041   125.86506   166.10089
   46    44 S   C3T  _C7_    42     1.49936   109.93620   -17.60920
   47    46 S   C3T  _C8_    43     1.51694   116.34694   -56.85453
   48    47 S   HC   _H11    44     1.08388   118.68028   -14.84888
   49    47 S   HC   _H12    45     1.08447   118.59316  -158.87128
   50    46 S   CT   _C5_    48     1.52108   121.77211   147.02663
   51    50 S   HC   _H7_    49     1.09854   108.71386  -170.54140
   52    33 S   C3T  _C9_    46     1.51874   106.81266   175.99015
   53    52 S   HC   _H3_    47     1.08246   114.86741    84.11938
   54    50 S   CT   _C4_    50     1.52826   111.92297   -52.46546
   55    54 S   HC   _H4_    51     1.09487   111.81481    62.16221
   56    54 S   HC   _H5_    52     1.09457   110.82663   -58.08586
   57    54 S   HC   _H6_    53     1.09521   110.70888  -177.56161
   58    50 S   CT   _C6_    54     1.52902   111.15642    71.89032
   59    58 S   HC   _H8_    55     1.09447   111.84783   -65.37109
   60    58 S   HC   _H9_    56     1.09523   110.65125   174.51874
   61    58 S   HC   _H10    57     1.09521   110.88874    54.83065
  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  13   5   4   3
  16   2   1   1  13   6   5   8   3   2   1  11   4  15   8   4
   3  11   9   3   1   7   3   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    52    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    46    47    52    53    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    47    48    49    52    53    50    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    52    53    50    40    41    42    43  
   39    44    45    46    52    40  
   44    45    46    52    40  
   41    42    43    44    46    47    52    53  
   42    43    52  
   43    52  
   52  
   45    46    47    48    49    52    53    50    51    54    58  
   46    47    52    50  
   47    48    49    52    53    50    51    54    55    56    57    58    59    60    61  
   48    49    52    53    50    51    54    58  
   49    52    53    50  
   52    53    50  
   51    54    55    56    57    58    59    60    61    52    53  
   54    55    56    57    58    59    60    61    52  
   53    54    58  
    0  
   55    56    57    58    59    60    61  
   56    57    58  
   57    58  
   58  
   59    60    61  
   60    61  
   61  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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   222.000  1.810
   33    37   268.000  1.529
   33    52   275.000  1.510
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   317.000  1.522
   44    45   570.000  1.229
   44    46   290.000  1.496
   46    47   260.000  1.509
   46    52   260.000  1.509
   46    50   275.000  1.510
   47    48   340.000  1.088
   47    49   340.000  1.088
   47    52   260.000  1.509
   52    53   340.000  1.088
   50    51   340.000  1.090
   50    54   268.000  1.529
   50    58   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    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    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    37    75.00000  111.63000
   29    33    52    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    63.00000  111.10000
   33    52    46    60.00000  120.94000
   33    52    47    60.00000  120.94000
   33    52    53    40.00000  115.04500
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    80.00000  120.40000
   37    44    46    65.00000  117.32000
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    46    47    65.00000  117.18000
   44    46    52    65.00000  117.18000
   44    46    50    63.00000  111.10000
   46    44    45    75.00000  121.36600
   46    47    48    37.50000  117.20000
   46    47    49    37.50000  117.20000
   46    47    52    10.00000   60.00500
   46    52    47    10.00000   60.00500
   46    52    53    37.50000  117.20000
   46    50    51    45.00000  109.38400
   46    50    54    70.00000  112.37300
   46    50    58    70.00000  112.37300
   47    52    53    37.50000  117.20000
   49    47    48    35.00000  114.30000
   52    33    37    70.00000  112.37300
   52    46    47    10.00000   60.00500
   52    47    48    37.50000  117.20000
   52    47    49    37.50000  117.20000
   50    46    47    60.00000  120.94000
   50    46    52    60.00000  120.94000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    57    37.50000  110.70000
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   50    58    61    37.50000  110.70000
   54    50    51    37.50000  110.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    50    51    37.50000  110.70000
   58    50    54    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    52    70.00000  112.37300
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    52    46   0.44750  1.0 1.0
   29    33    52    46  -0.17800 -1.0 2.0
   29    33    52    46   0.20200  1.0 3.0
   29    33    52    47   0.44750  1.0 1.0
   29    33    52    47  -0.17800 -1.0 2.0
   29    33    52    47   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    37    44    45   0.30150 -1.0 2.0
   33    37   -44    46   0.60050  1.0 1.0
   33    37   -44    46   0.05600 -1.0 2.0
   33    37   -44    46   0.26150  1.0 3.0
   37    33   -52    46   0.07850  1.0 1.0
   37    33   -52    46  -0.03950 -1.0 2.0
   37    33   -52    46   0.67350  1.0 3.0
   37    33    52    47   0.07850  1.0 1.0
   37    33    52    47  -0.03950 -1.0 2.0
   37    33    52    47   0.67350  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    43   0.15000  1.0 3.0
   37    44   -46    47   0.60050  1.0 1.0
   37    44   -46    47   0.05600 -1.0 2.0
   37    44   -46    47   0.26150  1.0 3.0
   37    44   -46    52   0.60050  1.0 1.0
   37    44   -46    52   0.05600 -1.0 2.0
   37    44   -46    52   0.26150  1.0 3.0
   37    44    46    50   0.60050  1.0 1.0
   37    44    46    50   0.05600 -1.0 2.0
   37    44    46    50   0.26150  1.0 3.0
   38    37    44    45   0.00000  1.0 1.0
   38    37    44    46   0.00000  1.0 1.0
   39    37    44    45   0.00000  1.0 1.0
   39    37    44    46   0.00000  1.0 1.0
   44    46    47    48   0.15000  1.0 3.0
   44    46    47    49   0.15000  1.0 3.0
   44    46   -47    52  -0.95700  1.0 1.0
   44    46   -47    52  -0.18200 -1.0 2.0
   44    46   -47    52   0.29450  1.0 3.0
   44    46   -52    33  -0.95700  1.0 1.0
   44    46   -52    33  -0.18200 -1.0 2.0
   44    46   -52    33   0.29450  1.0 3.0
   44    46   -52    47  -0.95700  1.0 1.0
   44    46   -52    47  -0.18200 -1.0 2.0
   44    46   -52    47   0.29450  1.0 3.0
   44    46    52    53   0.15000  1.0 3.0
   44    46    50    51  -0.11250  1.0 3.0
   44    46    50    54  -0.95700  1.0 1.0
   44    46    50    54  -0.18200 -1.0 2.0
   44    46    50    54   0.29450  1.0 3.0
   44    46    50    58  -0.95700  1.0 1.0
   44    46    50    58  -0.18200 -1.0 2.0
   44    46    50    58   0.29450  1.0 3.0
   45    44    46    47   0.30150 -1.0 2.0
   45    44    46    52   0.30150 -1.0 2.0
   45    44    46    50   0.30150 -1.0 2.0
   46    47   -52    33   0.07850  1.0 1.0
   46    47   -52    33  -0.03950 -1.0 2.0
   46    47   -52    33   0.67350  1.0 3.0
   46    47   -52    53   0.15000  1.0 3.0
   46    50    54    55   0.15000  1.0 3.0
   46    50    54    56   0.15000  1.0 3.0
   46    50    54    57   0.15000  1.0 3.0
   46    50    58    59   0.15000  1.0 3.0
   46    50    58    60   0.15000  1.0 3.0
   46    50    58    61   0.15000  1.0 3.0
   47    46   -52    33   0.07850  1.0 1.0
   47    46   -52    33  -0.03950 -1.0 2.0
   47    46   -52    33   0.67350  1.0 3.0
   47    46   -52    53   0.15000  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    54   0.07850  1.0 1.0
   47    46    50    54  -0.03950 -1.0 2.0
   47    46    50    54   0.67350  1.0 3.0
   47    46    50    58   0.07850  1.0 1.0
   47    46    50    58  -0.03950 -1.0 2.0
   47    46    50    58   0.67350  1.0 3.0
   48    47    52    33   0.15000  1.0 3.0
   48    47   -52    46   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   49    47    52    33   0.15000  1.0 3.0
   49    47   -52    46   0.15000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   52    33    37    38   0.15000  1.0 3.0
   52    33    37    39   0.15000  1.0 3.0
   52    33   -37    44  -0.95700  1.0 1.0
   52    33   -37    44  -0.18200 -1.0 2.0
   52    33   -37    44   0.29450  1.0 3.0
   52    33    40    41   0.15000  1.0 3.0
   52    33    40    42   0.15000  1.0 3.0
   52    33    40    43   0.15000  1.0 3.0
   52    46   -47    48   0.15000  1.0 3.0
   52    46   -47    49   0.15000  1.0 3.0
   52    46    50    51   0.15000  1.0 3.0
   52    46    50    54   0.07850  1.0 1.0
   52    46    50    54  -0.03950 -1.0 2.0
   52    46    50    54   0.67350  1.0 3.0
   52    46    50    58   0.07850  1.0 1.0
   52    46    50    58  -0.03950 -1.0 2.0
   52    46    50    58   0.67350  1.0 3.0
   50    46    47    48   0.15000  1.0 3.0
   50    46    47    49   0.15000  1.0 3.0
   50    46   -47    52   0.07850  1.0 1.0
   50    46   -47    52  -0.03950 -1.0 2.0
   50    46   -47    52   0.67350  1.0 3.0
   50    46    52    33   0.56750  1.0 1.0
   50    46    52    33  -0.07550 -1.0 2.0
   50    46    52    33   0.20000  1.0 3.0
   50    46   -52    47   0.07850  1.0 1.0
   50    46   -52    47  -0.03950 -1.0 2.0
   50    46   -52    47   0.67350  1.0 3.0
   50    46    52    53   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    57   0.15000  1.0 3.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    60   0.15000  1.0 3.0
   51    50    58    61   0.15000  1.0 3.0
   54    50    58    59   0.15000  1.0 3.0
   54    50    58    60   0.15000  1.0 3.0
   54    50    58    61   0.15000  1.0 3.0
   58    50    54    55   0.15000  1.0 3.0
   58    50    54    56   0.15000  1.0 3.0
   58    50    54    57   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44  -0.95700  1.0 1.0
   40    33    37    44  -0.18200 -1.0 2.0
   40    33    37    44   0.29450  1.0 3.0
   40    33    52    46   0.07850  1.0 1.0
   40    33    52    46  -0.03950 -1.0 2.0
   40    33    52    46   0.67350  1.0 3.0
   40    33    52    47   0.07850  1.0 1.0
   40    33    52    47  -0.03950 -1.0 2.0
   40    33    52    47   0.67350  1.0 3.0
   40    33    52    53   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   37    46    44    45  10.50000 -1.0 2.0
END
