* LIGAND DATABASE FILE (OPLS2005)
*
001      66    67    119    182     347
    1     0 S   NP   _N1_     1    28.90989    93.71961   -20.08823
    2     1 S   H    _HN1     2     1.02979   101.83478    54.94068
    3     1 S   H    _H1_     3     1.02808    23.74824   160.43329
    4     1 S   H    _H2_     4     1.02756    88.51793   -53.50309
    5     1 S   CT   _CA1     5     1.50231   132.60501  -172.94720
    6     5 S   HC   _HA1     6     1.09598   105.09035    47.99323
    7     5 S   CO3  _C1_     7     1.53917   112.35740   -71.49135
    8     7 S   O2Z  _O11     8     1.26352   115.08206   -39.67420
    9     7 S   O2Z  _O12     9     1.26287   114.84669   138.76421
   10     5 S   CT   _CB1    10     1.53063   107.16263   165.34703
   11    10 S   HC   HB11    11     1.09807   109.09036   -53.28780
   12    10 S   HC   HB12    12     1.09725   110.27347    62.92539
   13    10 S   CT   _CG1    13     1.52887   112.92695  -174.72753
   14    13 S   HC   HG11    14     1.09448   109.89904   -63.69914
   15    13 S   HC   HG12    15     1.09627   110.29649    55.10349
   16    13 S   C    _CD1    16     1.51935   112.35868   174.95154
   17    16 S   O    _OE1    17     1.22756   123.05970   -22.38349
   18    16 S   N    _N2_    18     1.38540   111.79344   159.69088
   19    18 S   H    _HN2    19     1.01544   118.73223    -0.10835
   20    18 S   CT1  _CA2    20     1.46278   123.93310  -179.01206
   21    20 S   HC   _HA2    21     1.09732   109.21708   -20.08993
   22    20 S   C    _C2_    22     1.53510   107.99944  -135.58084
   23    22 S   O    _O2_    23     1.23011   122.39139  -147.27943
   24    20 S   CT   _CB2    32     1.53573   111.43352   102.44999
   25    24 S   HC   HB21    33     1.09391   109.60310    50.58666
   26    24 S   HC   HB22    34     1.09491   110.75883   169.18369
   27    22 S   N    _N3_    24     1.38564   113.32182    40.23077
   28    27 S   H    _HN3    25     1.01543   118.83262    -0.58751
   29    24 S   S    _SG2    35     1.82801   111.62347   -71.98657
   30    27 S   CT   _CA3    26     1.45427   123.46753   175.38582
   31    30 S   HC   HA31    27     1.09525   109.22610    24.52184
   32    30 S   HC   HA32    28     1.09498   107.11992   141.49545
   33    29 S   CT   _C14    36     1.87620   100.74412   152.63461
   34    30 S   CO3  _C3_    29     1.52910   113.13099   -98.97057
   35    34 S   O2Z  _O31    30     1.26405   115.41651   -45.01323
   36    34 S   O2Z  _O32    31     1.26357   114.98629   135.96022
   37    33 S   CM   _C10    37     1.54310   110.43777   -71.90220
   38    33 S   CT   _C15    63     1.53859   105.60244   165.45083
   39    38 S   HC   _H29    64     1.09705   110.96484   -67.22427
   40    38 S   HC   _H30    65     1.09494   111.61220   174.86546
   41    38 S   HC   _H31    66     1.09520   113.08056    54.64914
   42    37 S   SY   _S19    38     1.76814   114.46424   135.48558
   43    42 S   OY   _O15    39     1.45240   112.00883   145.19860
   44    42 S   OY   _O16    40     1.45168   109.93071   -77.92668
   45    37 S   CMA  _C11    48     1.36638   126.17924   -50.93123
   46    45 S   OM   _O14    49     1.26286   128.50917    -7.40512
   47    42 S   CT   _C13    41     1.76979    99.99717    34.58998
   48    47 S   HC   _H27    42     1.09443   108.58210  -179.60336
   49    47 S   HC   _H28    43     1.09519   106.86574    65.42726
   50    45 S   NE   _N13    50     1.38676   125.80135   175.99308
   51    50 S   H    _H32    51     1.01669   112.07192   148.43827
   52    47 S   CT   _C12    44     1.51226   112.29649   -56.42659
   53    52 S   HC   _H25    45     1.09551   110.86562   147.88814
   54    52 S   HC   _H26    46     1.09564   109.23123   -95.49073
   55    50 S   CA   _C9_    52     1.41500   129.72271   -60.14876
   56    33 S   OS   _O17    47     1.43552   105.94862    48.71825
   57    55 S   CA   _C7_    53     1.40046   123.67708    -1.59765
   58    57 S   HA   _H23    54     1.08450   120.71924    -2.45320
   59    57 S   CA   _C5_    55     1.39745   121.06991   178.54035
   60    59 S   HA   _H21    56     1.08617   119.82658   179.48948
   61    59 S   CA   _C4_    57     1.39184   120.12951    -0.51129
   62    61 S   HA   _H20    58     1.08576   120.14127   179.90721
   63    61 S   CA   _C6_    59     1.39161   119.73482    -0.13988
   64    63 S   HA   _H22    60     1.08598   120.09725  -179.89165
   65    55 S   CA   _C8_    61     1.40501   118.34560   175.79984
   66    65 S   HA   _H24    62     1.08781   120.01723     1.63734
  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
  16   2   1   1  17   7   3   2   1  12   6   5   8   3   6   5
   4   8   3   3   2   1   9   1   8   4   6   3   5   3   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    52    56    45    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    44    47    52    53    54    56    45    46    50    38    39    40    41  
   35    36  
   36  
    0  
   42    43    44    47    48    49    52    56    45    46    50    51    55    38    39    40    41  
   39    40    41    42    45    52    56  
   40    41    56  
   41    56  
   56  
   43    44    47    48    49    52    53    54    56    45    46    50  
   44    47    48    49    52    45  
   47    48    49    52    45  
   46    50    51    55    57    65    47    56  
   50    51    55  
   48    49    52    53    54    56  
   49    52    53    54    56  
   52    53    54    56  
   51    55    57    58    59    63    65    66  
   55    57    65  
   53    54    56  
   54    56  
   56  
   57    58    59    60    61    63    64    65    66  
    0  
   58    59    60    61    62    63    65    66  
   59    60    61    65  
   60    61    62    63    64    65  
   61    62    63  
   62    63    64    65    66  
   63    64    65  
   64    65    66  
   65    66  
   66  
    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  -0.316400   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   0.417900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.662700   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.2500   0.992900   2.0025   1.7750   0.025682759  -1.666211680
   43   2.9600   0.1700  -0.530000   1.6780   1.4800   0.001000000  -0.126889456
   44   2.9600   0.1700  -0.530000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.297800   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.178700   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.178700   1.4250   1.2500   0.008598240   0.268726247
   50   3.2500   0.1700  -1.076200   1.8650   1.6500   0.051222218  -2.220205820
   51   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   56   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    56   320.000  1.410
   33    38   268.000  1.529
   37    42   215.000  1.802
   37    45   465.000  1.376
   42    43   735.000  1.471
   42    44   735.000  1.471
   42    47   205.000  1.840
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    56   320.000  1.410
   45    46   745.000  1.250
   45    50   415.000  1.382
   50    51   434.000  1.010
   50    55   481.000  1.340
   55    57   469.000  1.400
   55    65   469.000  1.400
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   367.000  1.080
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    56    85.00000  114.68000
   29    33    38    75.00000  111.63000
   33    37    42    65.00000  120.00000
   33    37    45    70.00000  124.00000
   33    56    52    60.00000  109.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43   105.00000  106.90800
   37    42    44   105.00000  106.90800
   37    42    47    85.00000  102.49400
   37    45    46    65.00000  137.10300
   37    45    50    75.00000  114.40000
   42    47    48    45.00000  108.39800
   42    47    49    45.00000  108.39800
   42    47    52    75.00000  110.51500
   44    42    43   115.00000  120.17200
   47    42    43   100.00000  108.55000
   47    42    44   100.00000  108.55000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    56    50.00000  109.50000
   49    47    48    33.00000  107.80000
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   54    52    53    33.00000  107.80000
   56    33    37    85.00000  110.90400
   56    52    53    35.00000  109.50000
   56    52    54    35.00000  109.50000
   45    37    42    65.00000  118.15600
   45    50    51    50.00000  121.48000
   45    50    55    75.00000  121.78000
   50    45    46   105.00000  113.92000
   50    55    57    70.00000  120.10000
   50    55    65    70.00000  120.10000
   55    50    51    35.00000  113.50000
   55    57    58    35.00000  120.00000
   55    57    59    63.00000  120.00000
   55    65    63    63.00000  120.00000
   55    65    66    35.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    61    63.00000  120.00000
   59    57    58    35.00000  120.00000
   59    61    62    35.00000  120.00000
   59    61    63    63.00000  120.00000
   61    59    60    35.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    65    63.00000  120.00000
   63    61    62    35.00000  120.00000
   63    65    66    35.00000  120.00000
   65    55    57    63.00000  120.00000
   65    63    64    35.00000  120.00000
   38    33    37    70.00000  112.02700
   38    33    56    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    56   0.13850  1.0 1.0
   24    29    33    56  -1.34450 -1.0 2.0
   24    29    33    56   0.57400  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.09700  1.0 1.0
   29    33    37    42   0.15600 -1.0 2.0
   29    33    37    42  -0.50800  1.0 3.0
   29    33    37    45   0.42700  1.0 1.0
   29    33    37    45  -0.70350 -1.0 2.0
   29    33    37    45  -0.43150  1.0 3.0
   29    33    56    52   0.14700  1.0 1.0
   29    33    56    52  -1.16150 -1.0 2.0
   29    33    56    52   0.48700  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    43   0.00000  1.0 1.0
   33    37    42    44   0.00000  1.0 1.0
   33    37    42    47   0.00000  1.0 1.0
   33    37    45    46   7.00000 -1.0 2.0
   33    37    45    50   7.00000 -1.0 2.0
   37    33    56    52  -0.77900  1.0 1.0
   37    33    56    52  -0.36900 -1.0 2.0
   37    33    56    52   0.40400  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    47    48   0.00000  1.0 1.0
   37    42    47    49   0.00000  1.0 1.0
   37    42   -47    52   0.00000  1.0 1.0
   37    45    50    51   1.00000 -1.0 2.0
   37    45    50    55  -0.54500  1.0 1.0
   37    45    50    55   1.14150 -1.0 2.0
   42    37    45    46   7.00000 -1.0 2.0
   42    37    45    50   7.00000 -1.0 2.0
   42    47    52    53   0.15000  1.0 3.0
   42    47    52    54   0.15000  1.0 3.0
   42    47    52    56   0.56750  1.0 1.0
   42    47    52    56  -0.07550 -1.0 2.0
   42    47    52    56   0.20000  1.0 3.0
   43    42    47    48   0.26000  1.0 3.0
   43    42    47    49   0.26000  1.0 3.0
   43    42    47    52  -0.82900  1.0 1.0
   43    42    47    52   0.81700 -1.0 2.0
   43    42    47    52  -0.10400  1.0 3.0
   44    42    47    48   0.26000  1.0 3.0
   44    42    47    49   0.26000  1.0 3.0
   44    42    47    52  -0.82900  1.0 1.0
   44    42    47    52   0.81700 -1.0 2.0
   44    42    47    52  -0.10400  1.0 3.0
   47    52   -56    33   0.06250  1.0 1.0
   47    52   -56    33  -0.01100 -1.0 2.0
   47    52   -56    33   0.28050  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    54   0.15000  1.0 3.0
   48    47    52    56   0.23400  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    54   0.15000  1.0 3.0
   49    47    52    56   0.23400  1.0 3.0
   53    52    56    33   0.37050  1.0 3.0
   54    52    56    33   0.37050  1.0 3.0
   56    33   -37    42   0.09700  1.0 1.0
   56    33   -37    42   0.15600 -1.0 2.0
   56    33   -37    42  -0.50800  1.0 3.0
   56    33    37    45   0.39000  1.0 1.0
   56    33    37    45  -0.05800 -1.0 2.0
   56    33    37    45  -0.55150  1.0 3.0
   56    33    38    39   0.23400  1.0 3.0
   56    33    38    40   0.23400  1.0 3.0
   56    33    38    41   0.23400  1.0 3.0
   45    37    42    43  -1.00000  1.0 3.0
   45    37    42    44  -1.00000  1.0 3.0
   45    37    42    47   0.00000  1.0 1.0
   45    50    55    57   0.70250  1.0 1.0
   45    50    55    57   1.56150 -1.0 2.0
   45    50    55    65   0.70250  1.0 1.0
   45    50    55    65   1.56150 -1.0 2.0
   46    45    50    51   1.00000 -1.0 2.0
   46    45    50    55   1.00000 -1.0 2.0
   50    55    57    58   3.62500 -1.0 2.0
   50    55    57    59   3.62500 -1.0 2.0
   50    55    65    63   3.62500 -1.0 2.0
   50    55    65    66   3.62500 -1.0 2.0
   51    50    55    57   1.00000 -1.0 2.0
   51    50    55    65   1.00000 -1.0 2.0
   55    57    59    60   3.62500 -1.0 2.0
   55    57    59    61   3.62500 -1.0 2.0
   57    55    65    63   3.62500 -1.0 2.0
   57    55    65    66   3.62500 -1.0 2.0
   57    59    61    62   3.62500 -1.0 2.0
   57    59   -61    63   3.62500 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    57    59    61   3.62500 -1.0 2.0
   59    61    63    64   3.62500 -1.0 2.0
   59    61    63    65   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    63   3.62500 -1.0 2.0
   61    63   -65    55   3.62500 -1.0 2.0
   61    63    65    66   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    65   3.62500 -1.0 2.0
   64    63    65    55   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   65    55    57    58   3.62500 -1.0 2.0
   65    55   -57    59   3.62500 -1.0 2.0
   38    33    37    42   0.09700  1.0 1.0
   38    33    37    42   0.15600 -1.0 2.0
   38    33    37    42  -0.50800  1.0 3.0
   38    33    37    45   0.09850  1.0 1.0
   38    33    37    45   0.15250 -1.0 2.0
   38    33    37    45  -0.50650  1.0 3.0
   38    33    56    52   0.06250  1.0 1.0
   38    33    56    52  -0.01100 -1.0 2.0
   38    33    56    52   0.28050  1.0 3.0
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
   36    30    34    35  10.50000 -1.0 2.0
   33    42    37    45   1.10000 -1.0 2.0
   50    46    45    37   1.10000 -1.0 2.0
   51    45    50    55   1.00000 -1.0 2.0
   57    65    55    50   4.00000 -1.0 2.0
   59    58    57    55   1.10000 -1.0 2.0
   61    60    59    57   1.10000 -1.0 2.0
   63    62    61    59   1.10000 -1.0 2.0
   65    64    63    61   1.10000 -1.0 2.0
   63    66    65    55   1.10000 -1.0 2.0
END
