* LIGAND DATABASE FILE (OPLS2005)
*
001      61    62    113    172     331
    1     0 S   NP   _N1_     1    28.73003    95.90597   -23.81461
    2     1 S   H    _HN1     2     1.02828    34.59611   171.92435
    3     1 S   H    _H1_     3     1.02787   108.28025   -92.86638
    4     1 S   H    _H2_     4     1.02949    74.43857    11.75462
    5     1 S   CT   _CA1     5     1.50113   134.48286   115.27701
    6     5 S   HC   _HA1     6     1.09573   105.19018    89.71654
    7     5 S   CO3  _C1_     7     1.53783   112.46425   -30.51625
    8     7 S   O2Z  _O11     8     1.26373   115.00583   -42.59804
    9     7 S   O2Z  _O12     9     1.26240   114.94532   136.51706
   10     5 S   CT   _CB1    10     1.53075   107.41782  -152.30430
   11    10 S   HC   HB11    11     1.09835   109.36251   -49.67840
   12    10 S   HC   HB12    12     1.09812   110.45498    66.92766
   13    10 S   CT   _CG1    13     1.52995   112.61052  -170.64766
   14    13 S   HC   HG11    14     1.09579   110.64962   -65.97901
   15    13 S   HC   HG12    15     1.09671   109.76723    53.25459
   16    13 S   C    _CD1    16     1.51803   112.18862   173.71085
   17    16 S   O    _OE1    17     1.22733   123.26777     7.91537
   18    16 S   N    _N2_    18     1.38659   111.70014  -172.15297
   19    18 S   H    _HN2    19     1.01575   118.91933     1.70709
   20    18 S   CT1  _CA2    20     1.46201   123.38168   177.18006
   21    20 S   HC   _HA2    21     1.09735   109.36951     3.96961
   22    20 S   C    _C2_    22     1.53572   108.57017  -111.53260
   23    22 S   O    _O2_    23     1.23061   122.28586  -147.29356
   24    20 S   CT   _CB2    32     1.53315   111.62890   126.02387
   25    24 S   HC   HB21    33     1.09531   110.06221    56.65518
   26    24 S   HC   HB22    34     1.09523   110.07129   175.65377
   27    22 S   N    _N3_    24     1.38325   113.72208    40.08114
   28    27 S   H    _HN3    25     1.01576   119.60520    -3.15157
   29    24 S   S    _SG2    35     1.82768   111.56641   -64.63672
   30    27 S   CT   _CA3    26     1.45286   123.23038   177.21702
   31    30 S   HC   HA31    27     1.09549   107.49514   -65.04088
   32    30 S   HC   HA32    28     1.09556   108.00858    51.40782
   33    29 S   CT   _C12    36     1.84486    99.44526  -178.04435
   34    33 S   HC   _H3_    37     1.09587   106.82539    39.65266
   35    30 S   CO3  _C3_    29     1.52967   114.06449   173.41239
   36    35 S   O2Z  _O31    30     1.26378   116.06735    -0.80162
   37    35 S   O2Z  _O32    31     1.26427   114.41319   179.26511
   38    33 S   CT   _C11    38     1.54938   109.42173   159.03564
   39    38 S   HC   _H22    39     1.09936   108.89510    41.75272
   40    38 S   CM   _C5_    40     1.52352   113.37356   161.85797
   41    40 S   CM   _C4_    41     1.35006   120.71840   -10.79025
   42    40 S   CT   _C8_    53     1.51073   114.61854   169.61374
   43    42 S   HC   _H17    54     1.09514   111.15113   125.19172
   44    42 S   HC   _H18    55     1.09705   108.36007  -115.20397
   45    41 S   CT   _C10    42     1.51387   122.48595    -1.93694
   46    45 S   HC   _H21    43     1.09736   108.12964  -132.44338
   47    41 S   CO4  _C7_    50     1.49157   120.62765  -179.22444
   48    47 S   O    _O13    51     1.22590   123.07294   174.95935
   49    47 S   HC   _H16    52     1.10036   116.56589    -4.91510
   50    42 S   CT   _C9_    56     1.52184   110.89011     3.76712
   51    50 S   HC   _H19    57     1.09619   112.75787    69.74048
   52    50 S   HC   _H20    58     1.09490   109.89150  -170.52871
   53    33 S   NT   _N11    44     1.46308   109.24220   -80.04220
   54    53 S   H    _H27    45     1.01817   109.61811    55.57280
   55    45 S   CT   _C13    46     1.53518   111.78126   109.42621
   56    55 S   HC   _H24    47     1.09539   112.19821   -57.58415
   57    55 S   HC   _H25    48     1.09596   110.93222  -178.46303
   58    55 S   HC   _H26    49     1.09528   111.15015    62.61116
   59    50 S   OS   _O14    59     1.43776   109.90410   -52.40528
   60    38 S   CO4  _C6_    60     1.53211   111.48577   -77.15791
   61    60 S   O    _O33    61     1.22636   124.20780     3.58943
  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
  14   7   2   1   1  14   7  17  16   9   5   4  10   7   4   1
   1   5   3   2   6   1   3   2   1   1   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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    53    54    60  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    46    53    54    55    42    59    60    61  
   38    39    40    45    53    54    60  
   36    37  
   37  
    0  
   39    40    41    45    53    54    47    42    43    44    50    59    60    61  
   40    41    53    42    59    60    61  
   41    45    46    53    55    47    48    49    42    43    44    50    51    52    59    60    61  
   45    46    53    54    55    56    57    58    47    48    49    42    43    44    50    60  
   43    44    50    51    52    59    60    45    47  
   44    50    51    52    59  
   50    51    52    59  
   46    53    54    55    56    57    58    47    48    49  
   53    54    55    56    57    58    47  
   48    49    53    55  
   49  
    0  
   51    52    59    60    61  
   52    59    60  
   59    60  
   54    55    56    57    58    60  
   55  
   56    57    58  
   57    58  
   58  
    0  
   60    61  
   61  
    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   0.307500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0150   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   49   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   54   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   60   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
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    53   382.000  1.448
   38    39   340.000  1.090
   38    40   317.000  1.510
   38    60   317.000  1.522
   40    41   549.000  1.340
   40    42   317.000  1.510
   41    45   317.000  1.510
   41    47   320.000  1.462
   45    46   340.000  1.090
   45    53   382.000  1.448
   45    55   268.000  1.529
   53    54   434.000  1.010
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   47    48   570.000  1.229
   47    49   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    59   320.000  1.410
   59    60   214.000  1.327
   60    61   570.000  1.229
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    53    85.00000  109.00000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.02700
   33    38    60    63.00000  111.10000
   33    53    45    51.80000  107.20000
   33    53    54    35.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    70.00000  124.00000
   38    40    42    65.00000  117.92700
   38    60    59    81.00000  111.40000
   38    60    61    80.00000  120.40000
   40    38    39    35.00000  109.50000
   40    41    45    70.00000  124.00000
   40    41    47    65.00000  118.96000
   40    42    43    35.00000  109.50000
   40    42    44    35.00000  109.50000
   40    42    50    70.00000  112.02700
   41    45    46    35.00000  109.50000
   41    45    53    75.00000  110.70900
   41    45    55    70.00000  112.02700
   41    47    48    80.00000  123.72100
   41    47    49    40.00000  115.75000
   45    53    54    35.00000  109.50000
   45    55    56    37.50000  110.70000
   45    55    57    37.50000  110.70000
   45    55    58    37.50000  110.70000
   53    33    34    35.00000  109.50000
   53    33    38    56.20000  109.47000
   53    45    46    35.00000  109.50000
   55    45    46    37.50000  110.70000
   55    45    53    56.20000  109.47000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   47    41    45    65.00000  116.34900
   49    47    48    35.00000  123.00000
   42    40    41    70.00000  124.00000
   42    50    51    37.50000  110.70000
   42    50    52    37.50000  110.70000
   42    50    59    50.00000  109.50000
   44    42    43    33.00000  107.80000
   50    42    43    37.50000  110.70000
   50    42    44    37.50000  110.70000
   50    59    60    83.00000  116.90000
   52    50    51    33.00000  107.80000
   59    50    51    35.00000  109.50000
   59    50    52    35.00000  109.50000
   59    60    61    83.00000  123.40000
   60    38    39    35.00000  109.50000
   60    38    40    70.00000  109.06800
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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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    60   0.56750  1.0 1.0
   29    33    38    60  -0.07550 -1.0 2.0
   29    33    38    60   0.20000  1.0 3.0
   29    33    53    45   0.23200  1.0 1.0
   29    33    53    45   0.02100 -1.0 2.0
   29    33    53    45   0.24950  1.0 3.0
   29    33    53    54  -0.05900  1.0 1.0
   29    33    53    54   0.08350 -1.0 2.0
   29    33    53    54   0.12500  1.0 3.0
   33    38    40    41   0.09850  1.0 1.0
   33    38    40    41   0.15250 -1.0 2.0
   33    38    40    41  -0.50650  1.0 3.0
   33    38    40    42   0.46850  1.0 1.0
   33    38    40    42   0.08550 -1.0 2.0
   33    38    40    42   0.09800  1.0 3.0
   33    38    60    59   0.36750  1.0 3.0
   33    38    60    61   0.30150 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    60  -0.11250  1.0 3.0
   34    33    53    45   0.28000  1.0 3.0
   34    33    53    54   0.20000  1.0 3.0
   38    33    53    45   0.23450  1.0 1.0
   38    33    53    45   0.02050 -1.0 2.0
   38    33    53    45   0.25250  1.0 3.0
   38    33    53    54  -0.15950  1.0 1.0
   38    33    53    54   0.34650 -1.0 2.0
   38    33    53    54   0.05750  1.0 3.0
   38    40   -41    45   7.00000 -1.0 2.0
   38    40    41    47   7.00000 -1.0 2.0
   38    40    42    43   0.34800  1.0 3.0
   38    40    42    44   0.34800  1.0 3.0
   38    40    42    50   0.46850  1.0 1.0
   38    40    42    50   0.08550 -1.0 2.0
   38    40    42    50   0.09800  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   0.34800  1.0 3.0
   39    38    60    59   0.00000  1.0 1.0
   39    38    60    61   0.00000  1.0 1.0
   40    38    60    59   0.40000  1.0 3.0
   40    38    60    61   0.30150 -1.0 2.0
   40    41    45    46   0.00000  1.0 1.0
   40    41    45    53   0.90200  1.0 1.0
   40    41    45    53   0.57900 -1.0 2.0
   40    41    45    53  -0.62100  1.0 3.0
   40    41    45    55   0.09850  1.0 1.0
   40    41    45    55   0.15250 -1.0 2.0
   40    41    45    55  -0.50650  1.0 3.0
   40    41    47    48   1.00000 -1.0 2.0
   40    41    47    49  -0.79650  1.0 1.0
   40    41    47    49   1.60950 -1.0 2.0
   40    41    47    49  -0.26250  1.0 3.0
   40    42    50    51   0.15000  1.0 3.0
   40    42    50    52   0.15000  1.0 3.0
   40    42   -50    59   0.61850  1.0 1.0
   40    42   -50    59  -0.22750 -1.0 2.0
   40    42   -50    59   0.15300  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    50   0.09850  1.0 1.0
   41    40    42    50   0.15250 -1.0 2.0
   41    40    42    50  -0.50650  1.0 3.0
   41    45   -53    33  -0.60800  1.0 1.0
   41    45   -53    33   1.10050 -1.0 2.0
   41    45   -53    33   0.47000  1.0 3.0
   41    45    53    54   0.12450  1.0 1.0
   41    45    53    54  -0.40750 -1.0 2.0
   41    45    53    54   0.30300  1.0 3.0
   41    45    55    56   0.15000  1.0 3.0
   41    45    55    57   0.15000  1.0 3.0
   41    45    55    58   0.15000  1.0 3.0
   45    41    47    48  -0.64400  1.0 1.0
   45    41    47    48   0.26850 -1.0 2.0
   45    41    47    49  -0.07900  1.0 1.0
   45    41    47    49   0.77700 -1.0 2.0
   45    41    47    49   0.13200  1.0 3.0
   46    45    53    33   0.28000  1.0 3.0
   46    45    53    54   0.20000  1.0 3.0
   46    45    55    56   0.15000  1.0 3.0
   46    45    55    57   0.15000  1.0 3.0
   46    45    55    58   0.15000  1.0 3.0
   53    33    38    39   0.15000  1.0 3.0
   53    33   -38    40   0.59950  1.0 1.0
   53    33   -38    40  -0.21400 -1.0 2.0
   53    33   -38    40   0.56200  1.0 3.0
   53    33    38    60  -3.56550  1.0 1.0
   53    33    38    60  -0.67500 -1.0 2.0
   53    33    38    60   1.11300  1.0 3.0
   53    45    55    56   0.15000  1.0 3.0
   53    45    55    57   0.15000  1.0 3.0
   53    45    55    58   0.15000  1.0 3.0
   55    45    53    33   0.23450  1.0 1.0
   55    45    53    33   0.02050 -1.0 2.0
   55    45    53    33   0.25250  1.0 3.0
   55    45    53    54  -0.05950  1.0 1.0
   55    45    53    54   0.08850 -1.0 2.0
   55    45    53    54   0.11750  1.0 3.0
   47    41    45    46   0.15000  1.0 3.0
   47    41    45    53   0.09700  1.0 1.0
   47    41    45    53   0.15600 -1.0 2.0
   47    41    45    53  -0.50800  1.0 3.0
   47    41    45    55   0.09700  1.0 1.0
   47    41    45    55   0.15600 -1.0 2.0
   47    41    45    55  -0.50800  1.0 3.0
   42    40    41    45   7.00000 -1.0 2.0
   42    40    41    47   7.00000 -1.0 2.0
   42    50    59    60  -0.25900  1.0 1.0
   42    50    59    60  -0.47000 -1.0 2.0
   42    50    59    60   0.11750  1.0 3.0
   43    42    50    51   0.15000  1.0 3.0
   43    42    50    52   0.15000  1.0 3.0
   43    42    50    59   0.23400  1.0 3.0
   44    42    50    51   0.15000  1.0 3.0
   44    42    50    52   0.15000  1.0 3.0
   44    42    50    59   0.23400  1.0 3.0
   50    59   -60    38   1.63150  1.0 1.0
   50    59   -60    38   2.92000 -1.0 2.0
   50    59    60    61   3.00000 -1.0 2.0
   51    50    59    60   0.08050  1.0 3.0
   52    50    59    60   0.08050  1.0 3.0
   60    38    40    41  -0.51250  1.0 1.0
   60    38    40    41  -0.88800 -1.0 2.0
   60    38    40    41   0.08850  1.0 3.0
   60    38   -40    42   0.17250  1.0 1.0
   60    38   -40    42  -0.04100 -1.0 2.0
   60    38   -40    42  -0.33850  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
   37    30    35    36  10.50000 -1.0 2.0
   38    42    40    41   1.10000 -1.0 2.0
   47    45    41    40   1.10000 -1.0 2.0
   41    49    47    48  10.50000 -1.0 2.0
   38    59    60    61  10.50000 -1.0 2.0
END
