* LIGAND DATABASE FILE (OPLS2005)
*
001      58    57    103    150     303
    1     0 S   NP   _N1_     1    28.86403    95.79848   -21.72778
    2     1 S   H    _HN1     2     1.02808    93.62531   -96.05274
    3     1 S   H    _H1_     3     1.02951    79.39375    11.88383
    4     1 S   H    _H2_     4     1.02842    37.44038   149.07629
    5     1 S   CT   _CA1     5     1.50056   146.16375   123.15518
    6     5 S   HC   _HA1     6     1.09550   105.29829    75.76895
    7     5 S   CO3  _C1_     7     1.53710   112.83295   -44.75230
    8     7 S   O2Z  _O11     8     1.26370   115.44016   -35.15136
    9     7 S   O2Z  _O12     9     1.26354   115.34975   145.14413
   10     5 S   CT   _CB1    10     1.53175   107.52378  -165.80185
   11    10 S   HC   HB11    11     1.09820   109.75298   -46.74531
   12    10 S   HC   HB12    12     1.09826   110.18578    69.95564
   13    10 S   CT   _CG1    13     1.52985   112.58455  -167.67424
   14    13 S   HC   HG11    14     1.09566   110.63478   -60.32334
   15    13 S   HC   HG12    15     1.09648   109.89543    58.96645
   16    13 S   C    _CD1    16     1.51701   112.52003   179.85065
   17    16 S   O    _OE1    17     1.22683   123.36682     2.16419
   18    16 S   N    _N2_    18     1.38617   111.38054  -178.67382
   19    18 S   H    _HN2    19     1.01578   119.00743     4.26696
   20    18 S   CT1  _CA2    20     1.46223   123.53447  -177.30507
   21    20 S   HC   _HA2    21     1.09724   109.40116    -2.11507
   22    20 S   C    _C2_    22     1.53395   108.83317  -117.94536
   23    22 S   O    _O2_    23     1.23042   122.29354  -149.18380
   24    20 S   CT   _CB2    32     1.53320   110.90351   119.66156
   25    24 S   HC   HB21    33     1.09599   109.76567    57.61738
   26    24 S   HC   HB22    34     1.09502   110.85321   176.19203
   27    22 S   N    _N3_    24     1.38334   113.61616    38.28752
   28    27 S   H    _HN3    25     1.01612   119.52294    -3.43502
   29    24 S   S    _SG2    35     1.82786   111.27900   -64.26566
   30    27 S   CT   _CA3    26     1.45291   123.17298   177.04342
   31    30 S   HC   HA31    27     1.09550   107.49164   -64.77197
   32    30 S   HC   HA32    28     1.09557   107.99794    51.65633
   33    29 S   CT   _C7_    36     1.82779    99.18451   138.85698
   34    33 S   F    F1__    37     1.36325   108.61681    54.66486
   35    33 S   HC   _H3_    38     1.09484   107.46320   -59.74913
   36    30 S   CO3  _C3_    29     1.52946   114.10376   173.64816
   37    36 S   O2Z  _O31    30     1.26373   116.05368    -1.37842
   38    36 S   O2Z  _O32    31     1.26428   114.41555   178.69659
   39    33 S   CT   _C6_    39     1.54540   114.22991   178.06104
   40    39 S   CO3  _C8_    40     1.56880   109.50063   -64.24143
   41    40 S   O2Z  _O34    41     1.26610   115.62965   -60.62208
   42    40 S   O2Z  _O33    42     1.26445   115.95185   120.19966
   43    39 S   CT   _C5_    43     1.54996   113.87116    61.43425
   44    43 S   HC   _H6_    44     1.09986   108.96203  -179.40785
   45    43 S   HC   _H7_    45     1.09769   110.07912   -64.52099
   46    39 S   NT   _N4_    56     1.48113   108.40065  -178.05137
   47    46 S   H    _H8_    57     1.02008   109.48586   174.66516
   48    46 S   H    _H9_    58     1.02217   108.56684    59.45436
   49    43 S   CT   _C4_    46     1.53625   115.58318    58.80006
   50    49 S   HC   _H4_    47     1.09569   110.30854   -61.88991
   51    49 S   HC   _H5_    48     1.09613   110.12341    56.35460
   52    49 S   CT   _C9_    49     1.52339   110.50689   177.42603
   53    52 S   HC   _H10    50     1.09394   112.06429   -58.28384
   54    52 S   HC   _H11    51     1.09408   111.84176    65.31611
   55    52 S   NP   _N5_    52     1.48058   109.36436  -176.36175
   56    55 S   H    _H12    53     1.03232   112.09608   -60.00064
   57    55 S   H    _H13    54     1.02932   110.89023  -178.01426
   58    55 S   H    _H14    55     1.02767   112.29522    61.41308
  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   7   5   4   3
  13   5   4   2   1   1  13   9   3   2  12   6   5   3   1   1
   9   5   4   6   5   4   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    43    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    45    49    46    47    48  
   35    39    40    43    46  
   39    40    43    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    49    50    51    52    46    47    48  
   41    42    43    44    45    49    46    47    48  
   42    43    46  
   43    46  
   44    45    49    50    51    52    53    54    55    46    47    48  
   45    49    50    51    52    46  
   49    50    51    52    46  
   47    48    49  
   48  
    0  
   50    51    52    53    54    55    56    57    58  
   51    52    53    54    55  
   52    53    54    55  
   53    54    55    56    57    58  
   54    55    56    57    58  
   55    56    57    58  
   56    57    58  
   57    58  
   58  
    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   0.127500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   35   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.411900   1.9750   1.7500   0.005000000  -0.741685710
   40   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.231300   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   3.3000   0.1700  -1.020600   1.8650   1.6500   0.051222218  -2.220205820
   47   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   48   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   56   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   57   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   58   0.5000   0.0300   0.330000   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    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   222.000  1.810
   33    34   367.000  1.332
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   317.000  1.522
   39    43   268.000  1.529
   39    46   382.000  1.448
   40    41   656.000  1.250
   40    42   656.000  1.250
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   367.000  1.471
   55    56   434.000  1.010
   55    57   434.000  1.010
   55    58   434.000  1.010
   46    47   434.000  1.010
   46    48   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    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    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    90.00000  110.13500
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    70.00000  109.69300
   33    39    43    58.35000  112.70000
   33    39    46    56.20000  109.47000
   35    33    34    40.00000  107.00000
   39    33    34    50.00000  109.50000
   39    33    35    37.50000  110.70000
   39    40    41    70.00000  117.00000
   39    40    42    70.00000  117.00000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    49    58.35000  112.70000
   39    46    47    35.00000  109.50000
   39    46    48    35.00000  109.50000
   42    40    41    80.00000  126.00000
   43    39    40    70.00000  109.69300
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    52    58.35000  112.70000
   45    43    44    33.00000  107.80000
   49    43    44    37.50000  110.70000
   49    43    45    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    80.00000  111.20000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    58    35.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    35.00000  109.50000
   55    52    54    35.00000  109.50000
   57    55    56    35.00000  109.50000
   58    55    56    35.00000  109.50000
   58    55    57    35.00000  109.50000
   46    39    40    80.00000  109.96600
   46    39    43    56.20000  109.47000
   48    46    47    43.60000  106.40000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   29    33    39    46   0.56750  1.0 1.0
   29    33    39    46  -0.07550 -1.0 2.0
   29    33    39    46   0.20000  1.0 3.0
   33    39    40    41   0.41150 -1.0 2.0
   33    39    40    42   0.41150 -1.0 2.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    49   0.56750  1.0 1.0
   33    39    43    49  -0.07550 -1.0 2.0
   33    39    43    49   0.20000  1.0 3.0
   33    39    46    47  -0.05950  1.0 1.0
   33    39    46    47   0.08850 -1.0 2.0
   33    39    46    47   0.11750  1.0 3.0
   33    39    46    48  -0.05950  1.0 1.0
   33    39    46    48   0.08850 -1.0 2.0
   33    39    46    48   0.11750  1.0 3.0
   34    33    39    40  -1.63500  1.0 1.0
   34    33    39    40  -0.00300 -1.0 2.0
   34    33    39    40   0.24800  1.0 3.0
   34    33    39    43   0.39650  1.0 1.0
   34    33    39    43  -0.18350 -1.0 2.0
   34    33    39    43   0.41450  1.0 3.0
   34    33    39    46   0.56750  1.0 1.0
   34    33    39    46  -0.07550 -1.0 2.0
   34    33    39    46   0.20000  1.0 3.0
   35    33    39    40  -0.11250  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   35    33    39    46   0.15000  1.0 3.0
   39    43    49    50   0.15000  1.0 3.0
   39    43    49    51   0.15000  1.0 3.0
   39    43    49    52   0.56750  1.0 1.0
   39    43    49    52  -0.07550 -1.0 2.0
   39    43    49    52   0.20000  1.0 3.0
   40    39    43    44  -0.11250  1.0 3.0
   40    39    43    45  -0.11250  1.0 3.0
   40    39    43    49  -1.63150  1.0 1.0
   40    39    43    49  -0.43550 -1.0 2.0
   40    39    43    49   0.24500  1.0 3.0
   40    39    46    47   0.21900  1.0 1.0
   40    39    46    47  -0.24900 -1.0 2.0
   40    39    46    47   0.15200  1.0 3.0
   40    39    46    48   0.21900  1.0 1.0
   40    39    46    48  -0.24900 -1.0 2.0
   40    39    46    48   0.15200  1.0 3.0
   43    39    40    41   0.41150 -1.0 2.0
   43    39    40    42   0.41150 -1.0 2.0
   43    39    46    47  -0.05950  1.0 1.0
   43    39    46    47   0.08850 -1.0 2.0
   43    39    46    47   0.11750  1.0 3.0
   43    39    46    48  -0.05950  1.0 1.0
   43    39    46    48   0.08850 -1.0 2.0
   43    39    46    48   0.11750  1.0 3.0
   43    49    52    53   0.15000  1.0 3.0
   43    49    52    54   0.15000  1.0 3.0
   43    49    52    55   1.36600  1.0 1.0
   43    49    52    55  -0.11450 -1.0 2.0
   43    49    52    55   0.24250  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    51   0.15000  1.0 3.0
   44    43    49    52   0.15000  1.0 3.0
   45    43    49    50   0.15000  1.0 3.0
   45    43    49    51   0.15000  1.0 3.0
   45    43    49    52   0.15000  1.0 3.0
   49    52    55    56   0.17350  1.0 3.0
   49    52    55    57   0.17350  1.0 3.0
   49    52    55    58   0.17350  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55   0.19200  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.19200  1.0 3.0
   53    52    55    56   0.13050  1.0 3.0
   53    52    55    57   0.13050  1.0 3.0
   53    52    55    58   0.13050  1.0 3.0
   54    52    55    56   0.13050  1.0 3.0
   54    52    55    57   0.13050  1.0 3.0
   54    52    55    58   0.13050  1.0 3.0
   46    39    40    41   0.30150 -1.0 2.0
   46    39    40    42   0.30150 -1.0 2.0
   46    39    43    44   0.15000  1.0 3.0
   46    39    43    45   0.15000  1.0 3.0
   46    39    43    49   1.53400  1.0 1.0
   46    39    43    49  -0.09950 -1.0 2.0
   46    39    43    49   0.05700  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
   37    30    36    38  10.50000 -1.0 2.0
   41    39    40    42  10.50000 -1.0 2.0
END
