* LIGAND DATABASE FILE (OPLS2005)
*
001      75    74    127    183     366
    1     0 S   NP   _N1_     1    31.03479    92.91165   -27.29364
    2     1 S   H    _HN1     2     1.02815    33.70449  -132.44756
    3     1 S   H    _H1_     3     1.02814   136.19420   -92.00522
    4     1 S   H    _H2_     4     1.02955    79.23478    13.14918
    5     1 S   CT   _CA1     5     1.50129   104.49773   121.66193
    6     5 S   HC   _HA1     6     1.09567   105.23943    93.71236
    7     5 S   CO3  _C1_     7     1.53751   112.59492   -26.70166
    8     7 S   O2Z  _O11     8     1.26372   115.02934   -41.98384
    9     7 S   O2Z  _O12     9     1.26242   114.93919   137.27983
   10     5 S   CT   _CB1    10     1.52968   107.29200  -148.28869
   11    10 S   HC   HB11    11     1.09817   109.23924   -49.94382
   12    10 S   HC   HB12    12     1.09822   110.39957    66.53469
   13    10 S   CT   _CG1    13     1.53037   112.89177  -170.82245
   14    13 S   HC   HG11    14     1.09549   110.86679   -66.50110
   15    13 S   HC   HG12    15     1.09649   109.78211    53.00059
   16    13 S   C    _CD1    16     1.51661   111.52619   173.48648
   17    16 S   O    _OE1    17     1.22797   123.01465    13.79653
   18    16 S   N    _N2_    18     1.38663   112.22342  -166.54052
   19    18 S   H    _HN2    19     1.01583   119.29857     0.46688
   20    18 S   CT1  _CA2    20     1.45880   122.57519   175.02366
   21    20 S   HC   _HA2    21     1.09192   108.50676     1.37558
   22    20 S   C    _C2_    22     1.53514   109.17775  -112.53135
   23    22 S   O    _O2_    23     1.23050   122.26245  -148.14281
   24    20 S   CT   _CB2    32     1.53172   112.58502   123.84090
   25    24 S   HC   HB21    33     1.09684   109.22367    61.95938
   26    24 S   HC   HB22    34     1.09534   110.93844   178.31728
   27    22 S   N    _N3_    24     1.38326   113.64811    39.84859
   28    27 S   H    _HN3    25     1.01561   119.58960    -5.71114
   29    24 S   S    _SG2    35     1.83272   115.99776   -57.72343
   30    27 S   CT   _CA3    26     1.45279   122.99618   176.51755
   31    30 S   HC   HA31    27     1.09553   107.68047   -57.20509
   32    30 S   HC   HA32    28     1.09537   107.89937    59.08976
   33    29 S   CT   _C20    36     1.84110   102.37432   -59.00500
   34    33 S   HC   _H3_    37     1.09559   106.04830    64.74382
   35    30 S   CO3  _C3_    29     1.52830   113.62577  -179.80317
   36    35 S   O2Z  _O31    30     1.26397   115.71740   -25.79256
   37    35 S   O2Z  _O32    31     1.26365   114.72261   154.20243
   38    33 S   CM   _C15    38     1.52865   112.21798   -55.52795
   39    33 S   CT   _C19    70     1.53595   108.15088   178.85773
   40    39 S   HC   _H39    71     1.09597   112.31938    66.02519
   41    39 S   HC   _H40    72     1.09703   110.74576   -54.43664
   42    38 S   CM   _C10    39     1.34942   118.33741   113.26777
   43    42 S   HC   _H27    40     1.08817   117.53483     0.36316
   44    38 S   CT   _C18    66     1.50842   117.67430   -67.01194
   45    44 S   HC   _H36    67     1.09436   110.36604   -71.47634
   46    44 S   HC   _H37    68     1.09403   111.14655    48.76740
   47    44 S   HC   _H38    69     1.09320   113.02309   168.02158
   48    39 S   CO4  _C12    73     1.50855   110.80417  -172.05908
   49    48 S   O    _O19    74     1.22694   123.29484  -127.16971
   50    48 S   HC   _H29    75     1.10370   115.86372    55.22364
   51    42 S   CM   _C5_    41     1.44714   128.17336   178.51826
   52    51 S   HC   _H22    42     1.08702   116.93746   -22.34401
   53    51 S   CM   _C4_    43     1.34486   125.66277   160.53953
   54    53 S   HC   _H21    44     1.08692   116.85225   176.64258
   55    53 S   CM   _C8_    45     1.45124   126.15973    -7.06547
   56    55 S   HC   _H25    46     1.08867   115.11051   -15.30911
   57    55 S   CM   _C13    47     1.34753   127.24969   167.75597
   58    57 S   CM   _C7_    48     1.45978   120.96702   175.60150
   59    58 S   HC   _H24    49     1.09031   113.85129  -125.52728
   60    57 S   CT   _C16    62     1.50492   125.63073    -1.63566
   61    60 S   HC   _H30    63     1.09626   110.38498  -130.55879
   62    60 S   HC   _H31    64     1.09547   110.44770   109.74793
   63    60 S   HC   _H32    65     1.09291   113.26886   -11.28709
   64    58 S   CM   _C6_    50     1.34443   129.21261    55.44484
   65    64 S   HC   _H23    51     1.08726   115.80118  -179.64946
   66    64 S   CM   _C9_    52     1.45006   127.41587     1.68040
   67    66 S   HC   _H26    53     1.08779   115.26458     3.96497
   68    66 S   CM   _C14    54     1.34566   126.08644  -176.87996
   69    68 S   CO4  _C11    55     1.49149   115.85453  -179.50584
   70    69 S   O    _O18    56     1.22615   122.94455   178.77827
   71    69 S   HC   _H28    57     1.10316   116.12061    -1.17670
   72    68 S   CT   _C17    58     1.49776   128.35060     0.55743
   73    72 S   HC   _H33    59     1.09523   110.15039   120.37826
   74    72 S   HC   _H34    60     1.09169   113.57355    -0.00000
   75    72 S   HC   _H35    61     1.09528   110.18174  -120.25426
  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
  15   7   2   1   1  13   7   4   3  10   4   4   2   1   1   2
   1   1   6   3   6   3   9   3   9  10   4   4   2   1   1   6
   3   9   3   7   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    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    42    44    39    40    41    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    51    44    45    46    47    39    40    41    48    49    50  
   38    42    44    39    40    41    48  
   36    37  
   37  
    0  
   42    43    51    52    53    44    45    46    47    39    40    41    48  
   40    41    48    49    50    42    44  
   41    48    49    50  
   48    49    50  
   43    51    52    53    54    55    44    45    46    47  
   51    52    53    44  
   45    46    47    51  
   46    47  
   47  
    0  
   49    50  
   50  
    0  
   52    53    54    55    56    57  
   53    54    55  
   54    55    56    57    58    60  
   55    56    57  
   56    57    58    59    64    60    61    62    63  
   57    58    60  
   58    59    64    65    66    60    61    62    63  
   59    64    65    66    67    68    60    61    62    63  
   64    65    66    60  
   61    62    63    64  
   62    63  
   63  
    0  
   65    66    67    68    69    72  
   66    67    68  
   67    68    69    70    71    72    73    74    75  
   68    69    72  
   69    70    71    72    73    74    75  
   70    71    72    73    74    75  
   71    72  
   72  
   73    74    75  
   74    75  
   75  
    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   0.107500   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   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   50   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   71   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   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    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    42   549.000  1.340
   38    44   317.000  1.510
   42    43   340.000  1.080
   42    51   380.000  1.444
   51    52   340.000  1.080
   51    53   549.000  1.340
   53    54   340.000  1.080
   53    55   380.000  1.444
   55    56   340.000  1.080
   55    57   549.000  1.340
   57    58   380.000  1.444
   57    60   317.000  1.510
   58    59   340.000  1.080
   58    64   549.000  1.340
   64    65   340.000  1.080
   64    66   380.000  1.444
   66    67   340.000  1.080
   66    68   549.000  1.340
   68    69   320.000  1.462
   68    72   317.000  1.510
   69    70   570.000  1.229
   69    71   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    48   317.000  1.522
   48    49   570.000  1.229
   48    50   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    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    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  124.00000
   33    38    44    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    48    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    51    70.00000  123.01800
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   38    44    47    35.00000  109.50000
   42    51    52    35.00000  120.00000
   42    51    53    70.00000  123.01800
   51    42    43    35.00000  120.00000
   51    53    54    35.00000  120.00000
   51    53    55    70.00000  123.01800
   53    51    52    35.00000  120.00000
   53    55    56    35.00000  120.00000
   53    55    57    70.00000  123.01800
   55    53    54    35.00000  120.00000
   55    57    58    70.00000  123.01800
   55    57    60    70.00000  124.00000
   57    55    56    35.00000  120.00000
   57    58    59    35.00000  120.00000
   57    58    64    70.00000  123.01800
   57    60    61    35.00000  109.50000
   57    60    62    35.00000  109.50000
   57    60    63    35.00000  109.50000
   58    64    65    35.00000  120.00000
   58    64    66    70.00000  123.01800
   64    58    59    35.00000  120.00000
   64    66    67    35.00000  120.00000
   64    66    68    70.00000  123.01800
   66    64    65    35.00000  120.00000
   66    68    69    65.00000  118.96000
   66    68    72    70.00000  124.00000
   68    66    67    35.00000  120.00000
   68    69    70    80.00000  123.72100
   68    69    71    40.00000  115.75000
   68    72    73    35.00000  109.50000
   68    72    74    35.00000  109.50000
   68    72    75    35.00000  109.50000
   71    69    70    35.00000  123.00000
   72    68    69    65.00000  116.34900
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   60    57    58    70.00000  124.00000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   44    38    42    70.00000  124.00000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    48    49    80.00000  120.40000
   39    48    50    35.00000  115.00000
   41    39    40    33.00000  107.80000
   48    39    40    35.00000  109.50000
   48    39    41    35.00000  109.50000
   50    48    49    35.00000  123.00000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    44   0.30250  1.0 1.0
   29    33    38    44  -0.14950 -1.0 2.0
   29    33    38    44   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    48   0.56750  1.0 1.0
   29    33    39    48  -0.07550 -1.0 2.0
   29    33    39    48   0.20000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    51   7.00000 -1.0 2.0
   33    38    44    45   0.34800  1.0 3.0
   33    38    44    46   0.34800  1.0 3.0
   33    38    44    47   0.34800  1.0 3.0
   33    39    48    49   0.30150 -1.0 2.0
   33    39    48    50   0.74550  1.0 1.0
   33    39    48    50  -0.00500 -1.0 2.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    44   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    48  -0.11250  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    48  -0.98800  1.0 1.0
   38    33    39    48   0.48800 -1.0 2.0
   38    33    39    48   0.76800  1.0 3.0
   38    42    51    52  -0.18600  1.0 3.0
   38    42    51    53   0.28850  1.0 1.0
   38    42    51    53   2.61350 -1.0 2.0
   38    42    51    53   0.78400  1.0 3.0
   42    38    44    45   0.00000  1.0 1.0
   42    38    44    46   0.00000  1.0 1.0
   42    38    44    47   0.00000  1.0 1.0
   42    51    53    54   7.00000 -1.0 2.0
   42    51    53    55   7.00000 -1.0 2.0
   43    42    51    52   0.00000  1.0 1.0
   43    42    51    53  -0.18600  1.0 3.0
   51    53    55    56  -0.18600  1.0 3.0
   51    53    55    57   0.28850  1.0 1.0
   51    53    55    57   2.61350 -1.0 2.0
   51    53    55    57   0.78400  1.0 3.0
   52    51    53    54   7.00000 -1.0 2.0
   52    51    53    55   7.00000 -1.0 2.0
   53    55    57    58   7.00000 -1.0 2.0
   53    55    57    60   7.00000 -1.0 2.0
   54    53    55    56   0.00000  1.0 1.0
   54    53    55    57  -0.18600  1.0 3.0
   55    57    58    59  -0.18600  1.0 3.0
   55    57    58    64   0.28850  1.0 1.0
   55    57    58    64   2.61350 -1.0 2.0
   55    57    58    64   0.78400  1.0 3.0
   55    57    60    61   0.00000  1.0 1.0
   55    57    60    62   0.00000  1.0 1.0
   55    57    60    63   0.00000  1.0 1.0
   56    55    57    58   7.00000 -1.0 2.0
   56    55    57    60   7.00000 -1.0 2.0
   57    58    64    65   7.00000 -1.0 2.0
   57    58    64    66   7.00000 -1.0 2.0
   58    57    60    61   0.00000  1.0 1.0
   58    57    60    62   0.00000  1.0 1.0
   58    57    60    63   0.00000  1.0 1.0
   58    64    66    67  -0.18600  1.0 3.0
   58    64    66    68   0.28850  1.0 1.0
   58    64    66    68   2.61350 -1.0 2.0
   58    64    66    68   0.78400  1.0 3.0
   59    58    64    65   7.00000 -1.0 2.0
   59    58    64    66   7.00000 -1.0 2.0
   64    66    68    69   7.00000 -1.0 2.0
   64    66    68    72   7.00000 -1.0 2.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    68  -0.18600  1.0 3.0
   66    68    69    70   1.00000 -1.0 2.0
   66    68    69    71  -0.79650  1.0 1.0
   66    68    69    71   1.60950 -1.0 2.0
   66    68    69    71  -0.26250  1.0 3.0
   66    68    72    73   0.00000  1.0 1.0
   66    68    72    74   0.00000  1.0 1.0
   66    68    72    75   0.00000  1.0 1.0
   67    66    68    69   7.00000 -1.0 2.0
   67    66    68    72   7.00000 -1.0 2.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    74   0.15000  1.0 3.0
   69    68    72    75   0.15000  1.0 3.0
   72    68    69    70  -0.64400  1.0 1.0
   72    68    69    70   0.26850 -1.0 2.0
   72    68    69    71  -0.07900  1.0 1.0
   72    68    69    71   0.77700 -1.0 2.0
   72    68    69    71   0.13200  1.0 3.0
   60    57    58    59   0.00000  1.0 1.0
   60    57    58    64  -0.18600  1.0 3.0
   44    38    42    43   7.00000 -1.0 2.0
   44    38    42    51   7.00000 -1.0 2.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    33    38    44   0.46850  1.0 1.0
   39    33    38    44   0.08550 -1.0 2.0
   39    33    38    44   0.09800  1.0 3.0
   40    39    48    49   0.00000  1.0 1.0
   40    39    48    50   0.00000  1.0 1.0
   41    39    48    49   0.00000  1.0 1.0
   41    39    48    50   0.00000  1.0 1.0
IPHI
    9     5     7     8  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    35    36  10.50000 -1.0 2.0
   33    44    38    42  15.00000 -1.0 2.0
   51    43    42    38  15.00000 -1.0 2.0
   42    52    51    53  15.00000 -1.0 2.0
   55    54    53    51  15.00000 -1.0 2.0
   53    56    55    57  15.00000 -1.0 2.0
   58    60    57    55  15.00000 -1.0 2.0
   57    59    58    64  15.00000 -1.0 2.0
   66    65    64    58  15.00000 -1.0 2.0
   64    67    66    68  15.00000 -1.0 2.0
   69    72    68    66  15.00000 -1.0 2.0
   68    71    69    70  10.50000 -1.0 2.0
   39    50    48    49  10.50000 -1.0 2.0
END
