* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    124    191     358
    1     0 S   NP   _N1_     1    28.83672    96.09948   -23.96922
    2     1 S   H    _HN1     2     1.02947    76.20872    -1.21917
    3     1 S   H    _H1_     3     1.02828    32.24687   161.79666
    4     1 S   H    _H2_     4     1.02793   109.92604  -106.05976
    5     1 S   CT   _CA1     5     1.50121   131.96891   104.00020
    6     5 S   HC   _HA1     6     1.09573   105.17240    88.16394
    7     5 S   CO3  _C1_     7     1.53774   112.43449   -32.06183
    8     7 S   O2Z  _O11     8     1.26377   115.00781   -43.26034
    9     7 S   O2Z  _O12     9     1.26234   114.94061   135.75950
   10     5 S   CT   _CB1    10     1.53061   107.40819  -153.86771
   11    10 S   HC   HB11    11     1.09840   109.35456   -49.38797
   12    10 S   HC   HB12    12     1.09811   110.47203    67.21272
   13    10 S   CT   _CG1    13     1.53015   112.62309  -170.31964
   14    13 S   HC   HG11    14     1.09572   110.71422   -66.71224
   15    13 S   HC   HG12    15     1.09669   109.71779    52.53703
   16    13 S   C    _CD1    16     1.51809   112.02253   173.02540
   17    16 S   O    _OE1    17     1.22756   123.18689    11.31560
   18    16 S   N    _N2_    18     1.38642   111.81416  -168.76131
   19    18 S   H    _HN2    19     1.01577   119.04157     1.07411
   20    18 S   CT1  _CA2    20     1.46226   123.37291   176.97703
   21    20 S   HC   _HA2    21     1.09743   109.23793     6.79541
   22    20 S   C    _C2_    22     1.53666   108.93783  -108.70897
   23    22 S   O    _O2_    23     1.23084   122.23335  -149.62196
   24    20 S   CT   _CB2    32     1.53390   111.70381   128.71775
   25    24 S   HC   HB21    33     1.09456   109.74826    56.80636
   26    24 S   HC   HB22    34     1.09492   109.92213   176.09585
   27    22 S   N    _N3_    24     1.38312   113.87853    37.90742
   28    27 S   H    _HN3    25     1.01548   119.60399    -3.31983
   29    24 S   S    _SG2    35     1.82280   111.47677   -63.62110
   30    27 S   CT   _CA3    26     1.45280   123.27629   177.17001
   31    30 S   HC   HA31    27     1.09548   107.51652   -64.70245
   32    30 S   HC   HA32    28     1.09556   107.99148    51.75276
   33    29 S   CT   _C6_    36     1.84262   100.43189  -164.25888
   34    33 S   HC   _H3_    37     1.09852   105.93456    56.57943
   35    30 S   CO3  _C3_    29     1.52973   114.04653   173.75477
   36    35 S   O2Z  _O31    30     1.26382   116.07822    -0.30001
   37    35 S   O2Z  _O32    31     1.26425   114.41655   179.75611
   38    33 S   CT   _C7_    38     1.53513   110.08456   173.76675
   39    38 S   HC   _H4_    39     1.09693   112.13102    47.59382
   40    38 S   CA   _C9_    40     1.51998   114.38703   -79.55001
   41    38 S   OS   _O33    60     1.44040   104.48671   160.93552
   42    40 S   CA   _C10    41     1.41125   119.45077   -71.27076
   43    42 S   HA   _H8_    42     1.08874   119.50204    -0.72524
   44    41 S   CO4  _C8_    61     1.36924   110.37698   -22.60570
   45    44 S   O    _O34    62     1.22393   123.00983  -176.58476
   46    42 S   CA   _C11    43     1.39491   120.99028   179.13114
   47    33 S   CT   _C5_    63     1.54089   120.34584   -66.86634
   48    47 S   OM   _O38    64     1.31772   114.58381   -36.09853
   49    46 S   CA   _C15    44     1.38779   118.69214    -0.12354
   50    47 S   CT   _C4_    65     1.53085   113.25363    91.70980
   51    50 S   HC   _H5_    66     1.09455   112.82980   -67.79948
   52    50 S   HC   _H6_    67     1.09863   111.97322   171.56809
   53    50 S   HC   _H7_    68     1.09707   110.93263    52.93581
   54    49 S   CA   _C16    45     1.39405   121.90521    -0.10279
   55    54 S   HA   _H11    46     1.08505   118.39947   179.92338
   56    49 S   OS   _O36    53     1.41060   120.61342   179.95154
   57    40 S   CA   _C17    47     1.41359   121.39717   107.36764
   58    56 S   CO4  _C14    54     1.39057   121.52971     0.07402
   59    58 S   O    _O35    55     1.22599   122.08004   180.00000
   60    57 S   OS   _O37    48     1.37212   116.22010     1.03948
   61    58 S   CM   _C13    56     1.47436   116.80537    -0.00000
   62    61 S   HC   _H10    57     1.08429   117.12632   179.98022
   63    60 S   CT   _C18    49     1.42198   117.57654  -174.75335
   64    63 S   HC   _H12    50     1.09428   107.72193   176.81808
   65    63 S   HC   _H13    51     1.09504   111.24678    59.06433
   66    63 S   HC   _H14    52     1.09479   111.04275   -65.53552
   67    46 S   CM   _C12    58     1.45300   122.31319   179.93744
   68    67 S   HC   _H9_    59     1.08443   119.09076    -0.00000
  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  10   5   4   3
  15   8   2   1   1  14   6  13   7  10   4   7   3  10   5   4
  10   3   2   1   1   7   3   6   5   5   3   4   3   2   3   2
   1   1   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    47    48    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    57    41    44    45    47    48    50    51    52    53  
   38    39    40    41    44    47    48    50  
   36    37  
   37  
    0  
   39    40    42    43    46    54    57    60    41    44    45    47    48    50  
   40    42    57    41    44    47  
   42    43    46    49    54    55    57    60    63    67    41    44    47  
   44    45    47    48    50    42    57  
   43    46    49    54    57    60    56    61    67    68  
   46    49    57    67  
   45    47    48    50    51    52    53  
   47    48    50  
   49    54    55    57    56    58    61    62    67    68  
   48    50    51    52    53  
   50    51    52    53  
   54    55    57    60    56    58    59    61    67    68  
   51    52    53  
   52    53  
   53  
    0  
   55    57    60    63    56    58    67  
   57    60    56  
   58    59    61    62    67    57  
   60    63    64    65    66  
   59    61    62    67    68  
   61    62    67  
   63    64    65    66  
   62    67    68  
   67    68  
   64    65    66  
   65    66  
   66  
    0  
   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   0.107500   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   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   41   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   47   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   49   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   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   268.000  1.529
   33    47   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.510
   38    41   320.000  1.410
   40    42   469.000  1.400
   40    57   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    49   469.000  1.400
   46    67   320.000  1.460
   49    54   469.000  1.400
   49    56   450.000  1.364
   54    55   367.000  1.080
   54    57   469.000  1.400
   57    60   450.000  1.364
   60    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   56    58   214.000  1.327
   58    59   570.000  1.229
   58    61   320.000  1.462
   61    62   340.000  1.080
   61    67   549.000  1.340
   67    68   340.000  1.080
   41    44   214.000  1.327
   44    45   570.000  1.229
   44    47   317.000  1.522
   47    48   570.000  1.307
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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  111.63000
   29    33    47    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.17500
   33    38    41    50.00000  109.50000
   33    47    44    63.00000  111.10000
   33    47    48    50.00000  109.50000
   33    47    50    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    42    70.00000  120.00000
   38    40    57    70.00000  120.00000
   38    41    44    83.00000  116.90000
   40    38    39    35.00000  109.50000
   40    42    43    35.00000  120.00000
   40    42    46    63.00000  120.00000
   40    57    54    63.00000  120.00000
   40    57    60    70.00000  120.00000
   42    46    49    63.00000  120.00000
   42    46    67    60.00000  120.93500
   46    42    43    35.00000  120.00000
   46    49    54    63.00000  120.00000
   46    49    56    70.00000  120.00000
   46    67    61    60.00000  123.20500
   46    67    68    40.00000  117.26300
   49    54    55    35.00000  120.00000
   49    54    57    63.00000  120.00000
   49    56    58    85.00000  115.98000
   54    57    60    70.00000  120.00000
   57    40    42    63.00000  120.00000
   57    54    55    35.00000  120.00000
   57    60    63    75.00000  111.00000
   60    63    64    35.00000  109.50000
   60    63    65    35.00000  109.50000
   60    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   56    49    54    70.00000  120.00000
   56    58    59    83.00000  123.40000
   56    58    61    90.00000  111.29400
   58    61    62    40.00000  117.72500
   58    61    67    65.00000  118.96000
   61    58    59    80.00000  123.72100
   61    67    68    35.00000  120.00000
   67    46    49    60.00000  120.93500
   67    61    62    35.00000  120.00000
   41    38    39    35.00000  109.50000
   41    38    40    85.00000  111.85700
   41    44    45    83.00000  123.40000
   41    44    47    81.00000  111.40000
   44    47    48    90.00000  108.74100
   44    47    50    63.00000  111.10000
   47    33    34    37.50000  110.70000
   47    33    38    58.35000  112.70000
   47    44    45    80.00000  120.40000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    53    37.50000  110.70000
   50    47    48    50.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    47    44   0.56750  1.0 1.0
   29    33    47    44  -0.07550 -1.0 2.0
   29    33    47    44   0.20000  1.0 3.0
   29    33    47    48   0.56750  1.0 1.0
   29    33    47    48  -0.07550 -1.0 2.0
   29    33    47    48   0.20000  1.0 3.0
   29    33    47    50   0.44750  1.0 1.0
   29    33    47    50  -0.17800 -1.0 2.0
   29    33    47    50   0.20200  1.0 3.0
   33    38    40    42   0.04150 -1.0 2.0
   33    38    40    57   0.04150 -1.0 2.0
   33    38   -41    44  -0.25900  1.0 1.0
   33    38   -41    44  -0.47000 -1.0 2.0
   33    38   -41    44   0.11750  1.0 3.0
   33    47    50    51   0.15000  1.0 3.0
   33    47    50    52   0.15000  1.0 3.0
   33    47    50    53   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.43200  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    47    44  -0.11250  1.0 3.0
   34    33    47    48   0.23400  1.0 3.0
   34    33    47    50   0.15000  1.0 3.0
   38    33   -47    44  -0.95700  1.0 1.0
   38    33   -47    44  -0.18200 -1.0 2.0
   38    33   -47    44   0.29450  1.0 3.0
   38    33    47    48   0.62750  1.0 1.0
   38    33    47    48  -0.30950 -1.0 2.0
   38    33    47    48   0.27300  1.0 3.0
   38    33    47    50   0.56750  1.0 1.0
   38    33    47    50  -0.07550 -1.0 2.0
   38    33    47    50   0.20000  1.0 3.0
   38    40    42    43   3.62500 -1.0 2.0
   38    40    42    46   3.62500 -1.0 2.0
   38    40    57    54   3.62500 -1.0 2.0
   38    40    57    60   3.62500 -1.0 2.0
   38    41    44    45   3.00000 -1.0 2.0
   38    41   -44    47   1.63150  1.0 1.0
   38    41   -44    47   2.92000 -1.0 2.0
   39    38    40    42   0.00000  1.0 1.0
   39    38    40    57   0.00000  1.0 1.0
   39    38    41    44   0.08050  1.0 3.0
   40    38    41    44  -0.43900 -1.0 2.0
   40    38    41    44   0.14100  1.0 3.0
   40    42    46    49   3.62500 -1.0 2.0
   40    42    46    67   3.62500 -1.0 2.0
   40    57    60    63   1.63200 -1.0 2.0
   42    40    57    54   3.62500 -1.0 2.0
   42    40    57    60   3.62500 -1.0 2.0
   42    46   -49    54   3.62500 -1.0 2.0
   42    46    49    56   3.62500 -1.0 2.0
   42    46    67    61   0.15800  1.0 1.0
   42    46    67    61   1.85350 -1.0 2.0
   42    46    67    61  -0.48700  1.0 3.0
   42    46    67    68   0.56550  1.0 3.0
   43    42    46    49   3.62500 -1.0 2.0
   43    42    46    67   3.62500 -1.0 2.0
   46    49    54    55   3.62500 -1.0 2.0
   46    49    54    57   3.62500 -1.0 2.0
   46    49    56    58   0.01300  1.0 1.0
   46    49    56    58   0.97950 -1.0 2.0
   46    49    56    58  -0.55700  1.0 3.0
   49    46    67    61   0.15800  1.0 1.0
   49    46    67    61   1.85350 -1.0 2.0
   49    46    67    61  -0.48700  1.0 3.0
   49    46    67    68   0.56550  1.0 3.0
   49    54   -57    40   3.62500 -1.0 2.0
   49    54    57    60   3.62500 -1.0 2.0
   49    56    58    59   3.00000 -1.0 2.0
   49    56   -58    61   2.00000 -1.0 2.0
   54    49    56    58   0.01300  1.0 1.0
   54    49    56    58   0.97950 -1.0 2.0
   54    49    56    58  -0.55700  1.0 3.0
   54    57    60    63   1.63200 -1.0 2.0
   55    54    57    40   3.62500 -1.0 2.0
   55    54    57    60   3.62500 -1.0 2.0
   57    40    42    43   3.62500 -1.0 2.0
   57    40   -42    46   3.62500 -1.0 2.0
   57    60    63    64   0.08050  1.0 3.0
   57    60    63    65   0.08050  1.0 3.0
   57    60    63    66   0.08050  1.0 3.0
   56    49    54    55   3.62500 -1.0 2.0
   56    49    54    57   3.62500 -1.0 2.0
   56    58    61    62   1.63100 -1.0 2.0
   56    58    61    67  -0.56150  1.0 1.0
   56    58    61    67   2.19150 -1.0 2.0
   58    61   -67    46   7.00000 -1.0 2.0
   58    61    67    68   7.00000 -1.0 2.0
   59    58    61    62   0.00000  1.0 1.0
   59    58    61    67   1.00000 -1.0 2.0
   62    61    67    46   7.00000 -1.0 2.0
   62    61    67    68   7.00000 -1.0 2.0
   67    46    49    54   3.62500 -1.0 2.0
   67    46   -49    56   3.62500 -1.0 2.0
   41    38    40    42   0.64500  1.0 1.0
   41    38    40    42   0.14800 -1.0 2.0
   41    38    40    42   0.20650  1.0 3.0
   41    38    40    57   0.64500  1.0 1.0
   41    38    40    57   0.14800 -1.0 2.0
   41    38    40    57   0.20650  1.0 3.0
   41    44   -47    33   0.36750  1.0 3.0
   41    44    47    48   0.40000  1.0 3.0
   41    44    47    50   0.36750  1.0 3.0
   44    47    50    51  -0.11250  1.0 3.0
   44    47    50    52  -0.11250  1.0 3.0
   44    47    50    53  -0.11250  1.0 3.0
   45    44    47    33   0.30150 -1.0 2.0
   45    44    47    48   0.30150 -1.0 2.0
   45    44    47    50   0.30150 -1.0 2.0
   47    33    38    39   0.15000  1.0 3.0
   47    33    38    40  -0.03700  1.0 1.0
   47    33    38    40   0.37200 -1.0 2.0
   47    33    38    40  -0.47300  1.0 3.0
   47    33   -38    41   0.62750  1.0 1.0
   47    33   -38    41  -0.30950 -1.0 2.0
   47    33   -38    41   0.27300  1.0 3.0
   48    47    50    51   0.23400  1.0 3.0
   48    47    50    52   0.23400  1.0 3.0
   48    47    50    53   0.23400  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
   36    30    35    37  10.50000 -1.0 2.0
   42    57    40    38   4.00000 -1.0 2.0
   46    43    42    40   1.10000 -1.0 2.0
   49    67    46    42   4.00000 -1.0 2.0
   54    56    49    46   4.00000 -1.0 2.0
   57    55    54    49   1.10000 -1.0 2.0
   54    60    57    40   4.00000 -1.0 2.0
   56    61    58    59  10.50000 -1.0 2.0
   58    62    61    67   1.10000 -1.0 2.0
   46    68    67    61   1.10000 -1.0 2.0
   41    47    44    45  10.50000 -1.0 2.0
END
