* LIGAND DATABASE FILE (OPLS2005)
*
001      68    69    119    185     348
    1     0 S   NP   _N1_     1    29.03248    95.53122   -26.65268
    2     1 S   H    _HN1     2     1.02946    73.12677     4.55926
    3     1 S   H    _H1_     3     1.02824    35.11456  -160.32931
    4     1 S   H    _H2_     4     1.02802   127.94214   -95.89687
    5     1 S   CT   _CA1     5     1.50134   115.57818   109.55792
    6     5 S   HC   _HA1     6     1.09574   105.14047    97.26211
    7     5 S   CO3  _C1_     7     1.53754   112.50741   -22.94964
    8     7 S   O2Z  _O11     8     1.26381   114.99912   -41.74507
    9     7 S   O2Z  _O12     9     1.26234   114.93834   137.22877
   10     5 S   CT   _CB1    10     1.53042   107.39470  -144.74852
   11    10 S   HC   HB11    11     1.09850   109.30803   -48.99511
   12    10 S   HC   HB12    12     1.09811   110.48398    67.58363
   13    10 S   CT   _CG1    13     1.53051   112.67687  -169.89960
   14    13 S   HC   HG11    14     1.09556   110.83460   -68.84143
   15    13 S   HC   HG12    15     1.09663   109.62690    50.42337
   16    13 S   C    _CD1    16     1.51810   111.69483   171.00112
   17    16 S   O    _OE1    17     1.22780   123.05323    18.13679
   18    16 S   N    _N2_    18     1.38640   112.03005  -161.90517
   19    18 S   H    _HN2    19     1.01577   119.01283     0.54249
   20    18 S   CT1  _CA2    20     1.46182   123.27005   175.33230
   21    20 S   HC   _HA2    21     1.09739   109.27129     9.05369
   22    20 S   C    _C2_    22     1.53721   108.90915  -106.45894
   23    22 S   O    _O2_    23     1.23097   122.17147  -148.85370
   24    20 S   CT   _CB2    32     1.53289   111.77946   131.10060
   25    24 S   HC   HB21    33     1.09587   110.19016    56.67558
   26    24 S   HC   HB22    34     1.09445   109.83352   175.67473
   27    22 S   N    _N3_    24     1.38280   113.91854    38.61087
   28    27 S   H    _HN3    25     1.01529   119.64777    -3.02511
   29    24 S   S    _SG2    35     1.82669   111.69532   -64.26737
   30    27 S   CT   _CA3    26     1.45281   123.36647   177.31985
   31    30 S   HC   HA31    27     1.09545   107.49942   -65.34567
   32    30 S   HC   HA32    28     1.09553   108.02680    51.13661
   33    29 S   CT   _C12    36     1.85488    99.42106   178.96486
   34    33 S   HC   _H4_    37     1.09670   105.97880   -41.79901
   35    30 S   CO3  _C3_    29     1.53002   113.98691   173.14528
   36    35 S   O2Z  _O31    30     1.26395   116.07822    -0.52638
   37    35 S   O2Z  _O32    31     1.26423   114.42073   179.53354
   38    33 S   CA   _C13    38     1.52357   109.80177    75.78415
   39    33 S   CT   _C11    49     1.55221   109.81917  -159.23087
   40    39 S   HC   _H3_    50     1.10010   108.41645   -55.68030
   41    38 S   CA   _C14    39     1.40076   119.66511  -114.16326
   42    41 S   HA   _H12    40     1.08634   120.95584     0.43745
   43    39 S   CA   _C8_    51     1.52676   113.15686  -175.59193
   44    39 S   CO3  _C18    66     1.54906   114.61447    63.42330
   45    44 S   O2Z  _O35    67     1.26354   116.22929    31.19894
   46    44 S   O2Z  _O34    68     1.26568   114.54377  -148.86644
   47    41 S   CA   _C15    41     1.38837   119.55373  -179.38452
   48    47 S   HA   _H13    42     1.08188   123.64325   179.92867
   49    43 S   CA   _C7_    52     1.40136   119.73335   124.27767
   50    49 S   HA   _H9_    53     1.08729   120.45371     0.64346
   51    47 S   NAP  _N4_    43     1.33898   120.10772    -0.00000
   52    51 S   H    _H14    44     1.01973   118.85530   179.95577
   53    49 S   CA   _C6_    54     1.39670   120.62952  -179.29835
   54    53 S   HA   _H8_    55     1.08739   119.21110   179.89165
   55    51 S   CA   _C16    45     1.33899   122.29285    -0.00000
   56    55 S   HA   _H15    46     1.08188   116.24931   179.97202
   57    53 S   CA   _C5_    56     1.39738   120.65342    -0.24708
   58    38 S   CA   _C17    47     1.40117   121.93789    66.42576
   59    58 S   HA   _H16    48     1.08612   121.12284    -0.57878
   60    57 S   CA   _C10    57     1.39530   119.15082    -0.13270
   61    60 S   HA   _H11    58     1.08542   121.95296  -179.69353
   62    57 S   OS   _O33    61     1.36937   114.96382   179.92087
   63    43 S   CA   _C9_    59     1.40291   121.88788   -55.58642
   64    63 S   HA   _H10    60     1.08752   120.42660    -0.87111
   65    62 S   CT   _C4_    62     1.42271   116.76243   179.20181
   66    65 S   HC   _H5_    63     1.09429   107.75392  -179.64392
   67    65 S   HC   _H6_    64     1.09501   111.12130    62.60726
   68    65 S   HC   _H7_    65     1.09503   111.14849   -61.87519
  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   9   5   4   3
  16   7   2   1   1  13  13   6   8   4  12   4   1   1   6   3
   8   4   5   3   7   3   3   2   9   1   1   5   3   5   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    58    39    40    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    47    55    58    59    39    40    43    49    63    44    45    46  
   38    41    58    39    40    43    44  
   36    37  
   37  
    0  
   41    42    47    48    51    55    56    58    59    39    40    43    44  
   40    43    49    50    53    60    63    64    44    45    46    41    58  
   43    49    63    44    45    46  
   42    47    48    51    52    55    58    59  
   47    48    51    58  
   49    50    53    54    57    60    61    63    64    44    45    46  
   45    46    49    63  
   46  
    0  
   48    51    52    55    56    58  
   51    52    55  
   50    53    54    57    60    63    64    62  
   53    54    57    63  
   52    55    56    58    59  
   55    56    58  
   54    57    60    61    63    62    65  
   57    60    62  
   56    58    59  
   58    59  
   60    61    63    64    62    65    66    67    68  
   59  
    0  
   61    63    64    62    65  
   63    64    62  
   65    66    67    68    63  
   64  
    0  
   66    67    68  
   67    68  
   68  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700   0.202200   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.045000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0700  -0.240800   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   3.5500   0.0700   0.132600   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.182700   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.2500   0.1700  -0.244500   1.9750   1.7500   0.001000000  -0.511443539
   52   0.0000   0.0000   0.368100   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700   0.132600   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.182700   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.240800   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   469.000  1.400
   38    58   469.000  1.400
   41    42   367.000  1.080
   41    47   469.000  1.400
   47    48   367.000  1.080
   47    51   485.000  1.342
   51    52   475.000  1.020
   51    55   485.000  1.342
   55    56   367.000  1.080
   55    58   469.000  1.400
   58    59   367.000  1.080
   39    40   340.000  1.090
   39    43   317.000  1.510
   39    44   317.000  1.522
   43    49   469.000  1.400
   43    63   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    54   367.000  1.080
   53    57   469.000  1.400
   57    60   469.000  1.400
   57    62   450.000  1.364
   60    61   367.000  1.080
   60    63   469.000  1.400
   63    64   367.000  1.080
   62    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   44    45   656.000  1.250
   44    46   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    58    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    43    70.00000  112.17500
   33    39    44    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    47    63.00000  120.00000
   38    58    55    63.00000  120.00000
   38    58    59    35.00000  120.00000
   41    47    48    35.00000  120.00000
   41    47    51    70.00000  119.29800
   47    41    42    35.00000  120.00000
   47    51    52    45.00000  117.56800
   47    51    55    70.00000  123.81700
   51    47    48    45.00000  112.84900
   51    55    56    45.00000  112.84900
   51    55    58    70.00000  119.29800
   55    51    52    45.00000  117.56800
   55    58    59    35.00000  120.00000
   58    38    41    63.00000  120.00000
   58    55    56    35.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    43    49    70.00000  120.00000
   39    43    63    70.00000  120.00000
   39    44    45    70.00000  117.00000
   39    44    46    70.00000  117.00000
   43    39    40    35.00000  109.50000
   43    49    50    35.00000  120.00000
   43    49    53    63.00000  120.00000
   43    63    60    63.00000  120.00000
   43    63    64    35.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    57    63.00000  120.00000
   53    49    50    35.00000  120.00000
   53    57    60    63.00000  120.00000
   53    57    62    70.00000  120.00000
   57    53    54    35.00000  120.00000
   57    60    61    35.00000  120.00000
   57    60    63    63.00000  120.00000
   57    62    65    75.00000  111.00000
   60    63    64    35.00000  120.00000
   63    43    49    63.00000  120.00000
   63    60    61    35.00000  120.00000
   62    57    60    70.00000  120.00000
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    43    70.00000  106.62600
   46    44    45    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    58  -0.16000  1.0 1.0
   29    33    38    58  -0.03200 -1.0 2.0
   29    33    38    58   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    47   3.62500 -1.0 2.0
   33    38    58    55   3.62500 -1.0 2.0
   33    38    58    59   3.62500 -1.0 2.0
   33    39    43    49   0.04150 -1.0 2.0
   33    39    43    63   0.04150 -1.0 2.0
   33    39    44    45   0.41150 -1.0 2.0
   33    39    44    46   0.41150 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    58   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.43200  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43  -0.94300  1.0 1.0
   38    33    39    43   1.32550 -1.0 2.0
   38    33    39    43  -0.07100  1.0 3.0
   38    33    39    44  -2.95950  1.0 1.0
   38    33    39    44   0.02300  1.0 3.0
   38    41    47    48   3.62500 -1.0 2.0
   38    41    47    51   3.62500 -1.0 2.0
   41    38    58    55   3.62500 -1.0 2.0
   41    38    58    59   3.62500 -1.0 2.0
   41    47    51    52   3.62500 -1.0 2.0
   41    47   -51    55   3.62500 -1.0 2.0
   42    41    47    48   3.62500 -1.0 2.0
   42    41    47    51   3.62500 -1.0 2.0
   47    51    55    56   3.62500 -1.0 2.0
   47    51    55    58   3.62500 -1.0 2.0
   48    47    51    52   3.62500 -1.0 2.0
   48    47    51    55   3.62500 -1.0 2.0
   51    55   -58    38   3.62500 -1.0 2.0
   51    55    58    59   3.62500 -1.0 2.0
   52    51    55    56   3.62500 -1.0 2.0
   52    51    55    58   3.62500 -1.0 2.0
   56    55    58    38   3.62500 -1.0 2.0
   56    55    58    59   3.62500 -1.0 2.0
   58    38    41    42   3.62500 -1.0 2.0
   58    38   -41    47   3.62500 -1.0 2.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    58   0.04150 -1.0 2.0
   39    43    49    50   3.62500 -1.0 2.0
   39    43    49    53   3.62500 -1.0 2.0
   39    43    63    60   3.62500 -1.0 2.0
   39    43    63    64   3.62500 -1.0 2.0
   40    39    43    49   0.00000  1.0 1.0
   40    39    43    63   0.00000  1.0 1.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    46   0.00000  1.0 1.0
   43    39    44    45   0.30150 -1.0 2.0
   43    39    44    46   0.30150 -1.0 2.0
   43    49    53    54   3.62500 -1.0 2.0
   43    49    53    57   3.62500 -1.0 2.0
   49    43    63    60   3.62500 -1.0 2.0
   49    43    63    64   3.62500 -1.0 2.0
   49    53   -57    60   3.62500 -1.0 2.0
   49    53    57    62   3.62500 -1.0 2.0
   50    49    53    54   3.62500 -1.0 2.0
   50    49    53    57   3.62500 -1.0 2.0
   53    57    60    61   3.62500 -1.0 2.0
   53    57    60    63   3.62500 -1.0 2.0
   53    57    62    65   1.63200 -1.0 2.0
   54    53    57    60   3.62500 -1.0 2.0
   54    53    57    62   3.62500 -1.0 2.0
   57    60   -63    43   3.62500 -1.0 2.0
   57    60    63    64   3.62500 -1.0 2.0
   57    62    65    66   0.08050  1.0 3.0
   57    62    65    67   0.08050  1.0 3.0
   57    62    65    68   0.08050  1.0 3.0
   60    57    62    65   1.63200 -1.0 2.0
   61    60    63    43   3.62500 -1.0 2.0
   61    60    63    64   3.62500 -1.0 2.0
   63    43    49    50   3.62500 -1.0 2.0
   63    43   -49    53   3.62500 -1.0 2.0
   62    57    60    61   3.62500 -1.0 2.0
   62    57    60    63   3.62500 -1.0 2.0
   44    39    43    49   0.04300 -1.0 2.0
   44    39    43    63   0.04300 -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
   36    30    35    37  10.50000 -1.0 2.0
   41    58    38    33   4.00000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   51    48    47    41   1.10000 -1.0 2.0
   52    47    51    55   1.00000 -1.0 2.0
   58    56    55    51   1.10000 -1.0 2.0
   55    59    58    38   1.10000 -1.0 2.0
   49    63    43    39   4.00000 -1.0 2.0
   53    50    49    43   1.10000 -1.0 2.0
   57    54    53    49   1.10000 -1.0 2.0
   60    62    57    53   4.00000 -1.0 2.0
   63    61    60    57   1.10000 -1.0 2.0
   60    64    63    43   1.10000 -1.0 2.0
   45    39    44    46  10.50000 -1.0 2.0
END
