* LIGAND DATABASE FILE (OPLS2005)
*
001      59    61    108    164     305
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C16    36     1.80594    98.15691  -178.21469
   34    33 S   HC   _H3_    37     1.09814   107.40518   -40.03609
   35    33 S   HC   _H4_    38     1.09778   106.55209    74.61107
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C17    39     1.54819   112.46772  -163.78689
   40    39 S   OM   _O15    40     1.32119   107.34454   176.48682
   41    39 S   HC   _H25    41     1.09928   106.85757   -54.15098
   42    39 S   CM   _C13    42     1.50537   111.42269    61.13125
   43    42 S   CZ   _C5_    43     1.43625   119.77210    34.13614
   44    42 S   CM   _C8_    57     1.35392   122.60620  -145.24553
   45    44 S   HC   _H18    58     1.08513   121.58191    -0.24389
   46    43 S   CZ   _C4_    44     1.20128   159.52159  -174.80209
   47    46 S   CM   _C12    45     1.41592   162.55675     4.59674
   48    47 S   CM   _C10    46     1.34557   124.97788   143.84674
   49    48 S   HC   _H20    47     1.07807   127.62214     2.60910
   50    48 S   CM   _C9_    48     1.44920   107.83810  -174.20695
   51    50 S   HC   _H19    49     1.07745   124.75782   179.24179
   52    50 S   CM   _C11    50     1.34612   108.37117     0.51282
   53    52 S   HC   _H21    51     1.08090   124.72570   179.38834
   54    47 S   C3T  _C15    52     1.49233   123.25529   -30.37164
   55    54 S   C3T  _C14    53     1.52128   126.04524    31.34046
   56    55 S   HC   _H22    54     1.08340   118.16944   141.49902
   57    55 S   CZ   _C7_    55     1.43450   121.82957   -16.96412
   58    54 S   O3T  _O16    59     1.42647   125.37023   -42.66295
   59    57 S   CZ   _C6_    56     1.20280   163.64402    -8.68575
  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
   8   5   4   2   1   1   8   4   3   7   7   5   2   8  11   8
   4   6   3   6   3   5   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    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    46    59    44    45  
   41    42    43    44  
   42    43    44  
   43    46    47    57    59    44    45  
   46    47    48    54    59    44    45  
   45    46    55    57    59  
   57    59  
   47    48    49    50    52    54    55    58  
   48    49    50    51    52    53    54    55    56    57    58  
   49    50    51    52    53    54    55    58  
   50    51    52    54  
   51    52    53    54    55    58  
   52    53    54  
   53    54    55    56    57    58  
   54    55    58  
   55    56    57    59    58  
   56    57    59    58  
   57    59    58  
   59    58  
   59  
    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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   58   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   59   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
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   570.000  1.307
   39    41   340.000  1.090
   39    42   317.000  1.510
   42    43   400.000  1.423
   42    44   549.000  1.340
   43    46   985.000  1.221
   46    47   400.000  1.423
   47    48   549.000  1.340
   47    54   305.000  1.480
   48    49   340.000  1.080
   48    50   380.000  1.444
   50    51   340.000  1.080
   50    52   549.000  1.340
   52    53   340.000  1.080
   52    54   305.000  1.480
   54    55   260.000  1.509
   54    58   335.000  1.432
   55    56   340.000  1.088
   55    57   380.000  1.436
   55    58   335.000  1.432
   57    59   985.000  1.221
   59    44   400.000  1.423
   44    45   340.000  1.080
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    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    39    42    70.00000  112.02700
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    42    43    65.00000  118.62000
   39    42    44    70.00000  124.00000
   41    39    40    45.00000  125.66300
   42    39    40    85.00000  110.90400
   42    39    41    35.00000  109.50000
   42    43    46    30.00000  178.29000
   42    44    59    65.00000  121.28400
   42    44    45    35.00000  120.00000
   43    46    47    30.00000  178.29000
   46    47    48    65.00000  121.28400
   46    47    54    65.00000  118.62000
   47    48    49    35.00000  120.00000
   47    48    50    70.00000  123.01800
   47    54    52    70.00000  110.12100
   47    54    55    60.00000  120.58800
   47    54    58    85.00000  114.23300
   48    50    51    35.00000  120.00000
   48    50    52    70.00000  123.01800
   50    48    49    35.00000  120.00000
   50    52    53    35.00000  120.00000
   50    52    54    55.00000  125.06700
   52    50    51    35.00000  120.00000
   52    54    55    60.00000  120.58800
   52    54    58    85.00000  114.23300
   54    47    48    55.00000  125.06700
   54    52    53    40.00000  117.24000
   54    55    56    37.50000  117.20000
   54    55    57    60.00000  120.60600
   54    55    58    15.00000   60.43100
   54    58    55    15.00000   59.14900
   55    57    59    30.00000  179.03000
   57    55    56    35.00000  108.50000
   57    59    44    30.00000  178.29000
   59    44    45    40.00000  117.14900
   44    42    43    65.00000  121.28400
   58    54    55    15.00000   60.43100
   58    55    56    50.00000  114.27700
   58    55    57    80.00000  117.84000
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   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    42    43   0.09700  1.0 1.0
   33    39    42    43   0.15600 -1.0 2.0
   33    39    42    43  -0.50800  1.0 3.0
   33    39    42    44   0.09850  1.0 1.0
   33    39    42    44   0.15250 -1.0 2.0
   33    39    42    44  -0.50650  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   35    33    39    40   0.23400  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42   0.15000  1.0 3.0
   39    42    43    46   0.00000  1.0 1.0
   39    42    44    59   7.00000 -1.0 2.0
   39    42    44    45   7.00000 -1.0 2.0
   40    39    42    43   0.09700  1.0 1.0
   40    39    42    43   0.15600 -1.0 2.0
   40    39    42    43  -0.50800  1.0 3.0
   40    39    42    44   0.39000  1.0 1.0
   40    39    42    44  -0.05800 -1.0 2.0
   40    39    42    44  -0.55150  1.0 3.0
   41    39    42    43   0.00000  1.0 1.0
   41    39    42    44   0.00000  1.0 1.0
   42    43    46    47   0.00000  1.0 1.0
   43    42    44    59   7.00000 -1.0 2.0
   43    42    44    45   7.00000 -1.0 2.0
   43    46    47    48   0.00000  1.0 1.0
   43    46    47    54   0.00000  1.0 1.0
   46    47    48    49   7.00000 -1.0 2.0
   46    47    48    50   7.00000 -1.0 2.0
   46    47    54    52   0.09700  1.0 1.0
   46    47    54    52   0.15600 -1.0 2.0
   46    47    54    52  -0.50800  1.0 3.0
   46    47    54    55   0.09700  1.0 1.0
   46    47    54    55   0.15600 -1.0 2.0
   46    47    54    55  -0.50800  1.0 3.0
   46    47    54    58   0.09700  1.0 1.0
   46    47    54    58   0.15600 -1.0 2.0
   46    47    54    58  -0.50800  1.0 3.0
   47    48    50    51  -0.18600  1.0 3.0
   47    48   -50    52   0.28850  1.0 1.0
   47    48   -50    52   2.61350 -1.0 2.0
   47    48   -50    52   0.78400  1.0 3.0
   47    54    55    56   0.15000  1.0 3.0
   47    54    55    57   0.56750  1.0 1.0
   47    54    55    57  -0.07550 -1.0 2.0
   47    54    55    57   0.20000  1.0 3.0
   47    54   -55    58   0.61850  1.0 1.0
   47    54   -55    58  -0.22750 -1.0 2.0
   47    54   -55    58   0.15300  1.0 3.0
   47    54   -58    55  -0.77900  1.0 1.0
   47    54   -58    55  -0.36900 -1.0 2.0
   47    54   -58    55   0.40400  1.0 3.0
   48    47   -54    52  -0.28300  1.0 1.0
   48    47   -54    52   0.26700 -1.0 2.0
   48    47   -54    52  -0.63300  1.0 3.0
   48    47    54    55   0.09850  1.0 1.0
   48    47    54    55   0.15250 -1.0 2.0
   48    47    54    55  -0.50650  1.0 3.0
   48    47    54    58   0.39000  1.0 1.0
   48    47    54    58  -0.05800 -1.0 2.0
   48    47    54    58  -0.55150  1.0 3.0
   48    50    52    53   7.00000 -1.0 2.0
   48    50   -52    54   7.00000 -1.0 2.0
   49    48    50    51   0.00000  1.0 1.0
   49    48    50    52  -0.18600  1.0 3.0
   50    52   -54    47  -0.28300  1.0 1.0
   50    52   -54    47   0.26700 -1.0 2.0
   50    52   -54    47  -0.63300  1.0 3.0
   50    52    54    55   0.09850  1.0 1.0
   50    52    54    55   0.15250 -1.0 2.0
   50    52    54    55  -0.50650  1.0 3.0
   50    52    54    58   0.39000  1.0 1.0
   50    52    54    58  -0.05800 -1.0 2.0
   50    52    54    58  -0.55150  1.0 3.0
   51    50    52    53   7.00000 -1.0 2.0
   51    50    52    54   7.00000 -1.0 2.0
   52    54    55    56   0.15000  1.0 3.0
   52    54    55    57   0.56750  1.0 1.0
   52    54    55    57  -0.07550 -1.0 2.0
   52    54    55    57   0.20000  1.0 3.0
   52    54   -55    58   0.61850  1.0 1.0
   52    54   -55    58  -0.22750 -1.0 2.0
   52    54   -55    58   0.15300  1.0 3.0
   52    54   -58    55  -0.77900  1.0 1.0
   52    54   -58    55  -0.36900 -1.0 2.0
   52    54   -58    55   0.40400  1.0 3.0
   53    52    54    47   0.00000  1.0 1.0
   53    52    54    55   0.00000  1.0 1.0
   53    52    54    58   0.00000  1.0 1.0
   54    47    48    49   7.00000 -1.0 2.0
   54    47   -48    50   7.00000 -1.0 2.0
   54    55    57    59   0.00000  1.0 1.0
   55    57    59    44   0.00000  1.0 1.0
   56    55    57    59   0.00000  1.0 1.0
   56    55   -58    54   0.36800  1.0 3.0
   57    55   -58    54   0.37500  1.0 3.0
   57    59    44    42   0.00000  1.0 1.0
   57    59    44    45   0.00000  1.0 1.0
   44    42    43    46   0.00000  1.0 1.0
   58    54   -55    56   0.23400  1.0 3.0
   58    54   -55    57   0.56750  1.0 1.0
   58    54   -55    57  -0.07550 -1.0 2.0
   58    54   -55    57   0.20000  1.0 3.0
   58    55    57    59   0.00000  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   39    43    42    44   1.10000 -1.0 2.0
   46    54    47    48   1.10000 -1.0 2.0
   50    49    48    47   1.10000 -1.0 2.0
   48    51    50    52   1.10000 -1.0 2.0
   54    53    52    50   1.10000 -1.0 2.0
   59    45    44    42   1.10000 -1.0 2.0
END
