* LIGAND DATABASE FILE (OPLS2005)
*
001      62    62    110    165     325
    1     0 S   NP   _N1_     1    28.99073    92.67017   -21.93915
    2     1 S   H    _HN1     2     1.02966    94.58971    33.04711
    3     1 S   H    _H1_     3     1.02836    20.16238   162.37922
    4     1 S   H    _H2_     4     1.02777    97.92968   -76.21235
    5     1 S   CT   _CA1     5     1.50141   130.77350   155.09800
    6     5 S   HC   _HA1     6     1.09571   105.25198    61.82908
    7     5 S   CO3  _C1_     7     1.53767   112.40456   -58.42265
    8     7 S   O2Z  _O11     8     1.26357   114.99294   -43.10839
    9     7 S   O2Z  _O12     9     1.26237   114.92045   136.07670
   10     5 S   CT   _CB1    10     1.53055   107.37762   179.75371
   11    10 S   HC   HB11    11     1.09810   109.29210   -50.81470
   12    10 S   HC   HB12    12     1.09724   110.27895    65.75250
   13    10 S   CT   _CG1    13     1.52961   112.84023  -172.27295
   14    13 S   HC   HG11    14     1.09598   110.30941   -65.03361
   15    13 S   HC   HG12    15     1.09646   110.09244    54.17408
   16    13 S   C    _CD1    16     1.51834   112.28964   174.28523
   17    16 S   O    _OE1    17     1.22721   123.26075    -7.19735
   18    16 S   N    _N2_    18     1.38600   111.66012   173.63129
   19    18 S   H    _HN2    19     1.01581   119.05913     0.15066
   20    18 S   CT1  _CA2    20     1.46116   123.36499   179.42529
   21    20 S   HC   _HA2    21     1.09595   109.28147   -10.30798
   22    20 S   C    _C2_    22     1.53459   108.45805  -125.41669
   23    22 S   O    _O2_    23     1.23017   122.23011  -146.74924
   24    20 S   CT   _CB2    32     1.53317   111.61896   112.20398
   25    24 S   HC   HB21    33     1.09650   109.68897    58.05546
   26    24 S   HC   HB22    34     1.09558   111.11384   175.57747
   27    22 S   N    _N3_    24     1.38513   113.39773    40.81644
   28    27 S   H    _HN3    25     1.01515   118.90977    -0.84302
   29    24 S   S    _SG2    35     1.82762   114.25021   -61.85677
   30    27 S   CT   _CA3    26     1.45443   123.47454   174.63301
   31    30 S   HC   HA31    27     1.09521   109.25572    24.22137
   32    30 S   HC   HA32    28     1.09494   107.12747   141.27009
   33    29 S   CT   _C13    36     1.83137    99.57316   -69.62592
   34    33 S   HC   _H3_    37     1.09312   107.31441    69.16749
   35    33 S   HC   _H4_    38     1.09474   108.76971   -47.64744
   36    30 S   CO3  _C3_    29     1.52936   113.07434   -99.23438
   37    36 S   O2Z  _O31    30     1.26407   115.41524   -43.58511
   38    36 S   O2Z  _O32    31     1.26353   114.97113   137.31475
   39    33 S   CT   _C14    39     1.53259   112.69384  -170.11312
   40    39 S   HC   _H28    40     1.09892   108.23772  -179.07762
   41    39 S   CO3  _C9_    41     1.54515   115.11010    64.60314
   42    41 S   O2Z  _O13    42     1.26447   115.80783  -153.17074
   43    41 S   O2Z  _O15    43     1.26503   115.50891    29.06491
   44    39 S   OS   _O16    44     1.43768   110.77486   -59.40719
   45    44 S   CT   _C12    45     1.43960   114.46475   -84.81029
   46    45 S   HC   _H25    46     1.09625   109.86442    29.10737
   47    45 S   CM   _C6_    47     1.50460   108.13213   -90.77216
   48    47 S   HC   _H20    48     1.09046   114.56077    23.97673
   49    45 S   CT   _C11    57     1.52968   105.51021   147.65074
   50    49 S   HC   _H23    58     1.09890   110.24126    68.89393
   51    49 S   HC   _H24    59     1.09857   108.74809   -45.60275
   52    47 S   CM   _C7_    49     1.34191   127.93075  -155.25936
   53    52 S   CM   _C4_    50     1.44341   129.17924    -4.25266
   54    53 S   HC   _H18    51     1.09055   114.78248  -167.25361
   55    52 S   CO3  _C8_    60     1.54306   116.91443   179.32536
   56    55 S   O2Z  _O33    61     1.26564   115.57168    52.95423
   57    55 S   O2Z  _O14    62     1.26604   115.30315  -127.51406
   58    53 S   CM   _C5_    52     1.33936   129.29824    10.50322
   59    58 S   HC   _H19    53     1.09000   116.12202  -177.45763
   60    58 S   CT   _C10    54     1.49522   130.01962     2.46466
   61    60 S   HC   _H21    55     1.09756   107.12418   138.66318
   62    60 S   HC   _H22    56     1.09670   108.28582  -107.25047
  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   7   5   4   3
   9   5   4   2   1   1   9   5   4   2   1   9  13   7  12   4
   9   5   4   8   9   4   3   1   1   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    44  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    45  
   35    39    40    41    44  
   39    40    41    44  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    49  
   41    42    43    44    45  
   42    43    44    45  
   43    44  
   44  
   45    46    47    48    52    60    49    50    51  
   46    47    48    52    53    58    60    61    62    49    50    51    55  
   47    48    52    60    49    50    51  
   48    52    53    54    58    60    49    50    51    55    56    57  
   52    53    49    55  
   50    51    52    53    58    59    60    61    62  
   51    58    60    61    62  
   58    60    61    62  
   53    54    58    59    60    55    56    57  
   54    58    59    60    61    62    55    56    57  
   58    59    60    55  
   56    57    58  
   57  
    0  
   59    60    61    62  
   60    61    62  
   61    62  
   62  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.310300   2.0020   1.7750   0.023028004  -0.852763146
   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   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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  -0.120000   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
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    44   320.000  1.410
   41    42   656.000  1.250
   41    43   656.000  1.250
   44    45   320.000  1.410
   45    46   340.000  1.090
   45    47   317.000  1.510
   45    49   268.000  1.529
   47    48   340.000  1.080
   47    52   549.000  1.340
   52    53   380.000  1.444
   52    55   230.000  1.545
   53    54   340.000  1.080
   53    58   549.000  1.340
   58    59   340.000  1.080
   58    60   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   55    56   656.000  1.250
   55    57   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    70.00000  109.69300
   33    39    44    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    70.00000  117.00000
   39    41    43    70.00000  117.00000
   39    44    45    60.00000  109.50000
   41    39    40    35.00000  109.50000
   43    41    42    80.00000  126.00000
   44    39    40    35.00000  109.50000
   44    39    41    85.00000  109.63000
   44    45    46    35.00000  109.50000
   44    45    47    85.00000  110.90400
   44    45    49    50.00000  109.50000
   45    47    48    35.00000  117.00000
   45    47    52    70.00000  124.00000
   45    49    60    58.35000  112.70000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   47    45    46    35.00000  109.50000
   47    52    53    70.00000  123.01800
   47    52    55    55.00000  124.75400
   52    47    48    35.00000  120.00000
   52    53    54    35.00000  120.00000
   52    53    58    70.00000  123.01800
   52    55    56    85.00000  113.83300
   52    55    57    85.00000  113.83300
   53    58    59    35.00000  120.00000
   53    58    60    70.00000  124.00000
   58    53    54    35.00000  120.00000
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    49    70.00000  112.02700
   60    58    59    35.00000  117.00000
   60    49    50    37.50000  110.70000
   60    49    51    37.50000  110.70000
   62    60    61    33.00000  107.80000
   49    45    46    37.50000  110.70000
   49    45    47    70.00000  112.02700
   49    60    61    37.50000  110.70000
   49    60    62    37.50000  110.70000
   51    49    50    33.00000  107.80000
   55    52    53    55.00000  124.75400
   57    55    56    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    39    41    42   0.41150 -1.0 2.0
   33    39    41    43   0.41150 -1.0 2.0
   33    39    44    45   0.06250  1.0 1.0
   33    39    44    45  -0.01100 -1.0 2.0
   33    39    44    45   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    44   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    44   0.23400  1.0 3.0
   39    44    45    46   0.37050  1.0 3.0
   39    44    45    47  -0.77900  1.0 1.0
   39    44    45    47  -0.36900 -1.0 2.0
   39    44    45    47   0.40400  1.0 3.0
   39    44    45    49   0.06250  1.0 1.0
   39    44    45    49  -0.01100 -1.0 2.0
   39    44    45    49   0.28050  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    44    45   0.37050  1.0 3.0
   41    39    44    45  -1.11000  1.0 1.0
   41    39    44    45   0.50250 -1.0 2.0
   41    39    44    45   0.47450  1.0 3.0
   44    39    41    42   0.30150 -1.0 2.0
   44    39    41    43   0.30150 -1.0 2.0
   44    45    47    48   0.00000  1.0 1.0
   44    45    47    52   0.39000  1.0 1.0
   44    45    47    52  -0.05800 -1.0 2.0
   44    45    47    52  -0.55150  1.0 3.0
   44    45    49    60   0.62750  1.0 1.0
   44    45    49    60  -0.30950 -1.0 2.0
   44    45    49    60   0.27300  1.0 3.0
   44    45    49    50   0.23400  1.0 3.0
   44    45    49    51   0.23400  1.0 3.0
   45    47    52    53   7.00000 -1.0 2.0
   45    47    52    55   7.00000 -1.0 2.0
   46    45    47    48   0.33100  1.0 3.0
   46    45    47    52   0.00000  1.0 1.0
   46    45    49    60   0.15000  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    51   0.15000  1.0 3.0
   47    45    49    60   0.34400  1.0 1.0
   47    45    49    60   0.09450 -1.0 2.0
   47    45    49    60   0.11100  1.0 3.0
   47    45    49    50   0.15000  1.0 3.0
   47    45    49    51   0.15000  1.0 3.0
   47    52    53    54  -0.18600  1.0 3.0
   47    52    53    58   0.28850  1.0 1.0
   47    52    53    58   2.61350 -1.0 2.0
   47    52    53    58   0.78400  1.0 3.0
   47    52    55    56  -0.04000 -1.0 2.0
   47    52    55    56  -0.29050  1.0 3.0
   47    52    55    57  -0.04000 -1.0 2.0
   47    52    55    57  -0.29050  1.0 3.0
   48    47    52    53   7.00000 -1.0 2.0
   48    47    52    55   7.00000 -1.0 2.0
   52    53    58    59   7.00000 -1.0 2.0
   52    53    58    60   7.00000 -1.0 2.0
   53    52    55    56  -0.04000 -1.0 2.0
   53    52    55    56  -0.29050  1.0 3.0
   53    52    55    57  -0.04000 -1.0 2.0
   53    52    55    57  -0.29050  1.0 3.0
   53    58    60    61   0.00000  1.0 1.0
   53    58    60    62   0.00000  1.0 1.0
   53    58    60    49   0.09850  1.0 1.0
   53    58    60    49   0.15250 -1.0 2.0
   53    58    60    49  -0.50650  1.0 3.0
   54    53    58    59   7.00000 -1.0 2.0
   54    53    58    60   7.00000 -1.0 2.0
   58    60    49    45   0.34400  1.0 1.0
   58    60    49    45   0.09450 -1.0 2.0
   58    60    49    45   0.11100  1.0 3.0
   58    60    49    50   0.15000  1.0 3.0
   58    60    49    51   0.15000  1.0 3.0
   59    58    60    61   0.33100  1.0 3.0
   59    58    60    62   0.33100  1.0 3.0
   59    58    60    49   0.00000  1.0 1.0
   61    60    49    45   0.15000  1.0 3.0
   61    60    49    50   0.15000  1.0 3.0
   61    60    49    51   0.15000  1.0 3.0
   62    60    49    45   0.15000  1.0 3.0
   62    60    49    50   0.15000  1.0 3.0
   62    60    49    51   0.15000  1.0 3.0
   49    45    47    48   0.00000  1.0 1.0
   49    45    47    52   0.09850  1.0 1.0
   49    45    47    52   0.15250 -1.0 2.0
   49    45    47    52  -0.50650  1.0 3.0
   55    52    53    54   0.00000  1.0 1.0
   55    52    53    58  -0.18600  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
   38    30    36    37  10.50000 -1.0 2.0
   42    39    41    43  10.50000 -1.0 2.0
   45    48    47    52   1.10000 -1.0 2.0
   53    55    52    47   1.10000 -1.0 2.0
   52    54    53    58   1.10000 -1.0 2.0
   60    59    58    53   1.10000 -1.0 2.0
   56    52    55    57  10.50000 -1.0 2.0
END
