* LIGAND DATABASE FILE (OPLS2005)
*
001      59    61    108    164     305
    1     0 S   NP   _N1_     1    28.07146    95.95771   -22.29954
    2     1 S   H    _HN1     2     1.02835    33.53069   145.14651
    3     1 S   H    _H1_     3     1.02777   100.80139  -108.69530
    4     1 S   H    _H2_     4     1.02957    78.82599    -1.90701
    5     1 S   CT   _CA1     5     1.50142   139.52195   106.48680
    6     5 S   HC   _HA1     6     1.09576   105.19377    80.83372
    7     5 S   CO3  _C1_     7     1.53771   112.35525   -39.31115
    8     7 S   O2Z  _O11     8     1.26366   114.99021   -43.78320
    9     7 S   O2Z  _O12     9     1.26234   114.92681   135.22506
   10     5 S   CT   _CB1    10     1.53090   107.41101  -161.28859
   11    10 S   HC   HB11    11     1.09829   109.27796   -50.47869
   12    10 S   HC   HB12    12     1.09815   110.45025    66.06059
   13    10 S   CT   _CG1    13     1.53031   112.70192  -171.54553
   14    13 S   HC   HG11    14     1.09591   110.51329   -65.48098
   15    13 S   HC   HG12    15     1.09660   109.88941    53.72695
   16    13 S   C    _CD1    16     1.51855   112.27540   174.05799
   17    16 S   O    _OE1    17     1.22763   123.26638     2.06232
   18    16 S   N    _N2_    18     1.38570   111.76235  -177.86366
   19    18 S   H    _HN2    19     1.01555   119.06022     3.88766
   20    18 S   CT1  _CA2    20     1.45804   122.80145   177.44810
   21    20 S   HC   _HA2    21     1.09750   108.86148    25.51725
   22    20 S   C    _C2_    22     1.52977   107.20573   -91.33548
   23    22 S   O    _O2_    23     1.22961   123.13459   -26.19131
   24    20 S   CT   _CB2    32     1.53342   112.29323   148.75740
   25    24 S   HC   HB21    33     1.09492   109.81482    52.22023
   26    24 S   HC   HB22    34     1.09374   109.37906   171.09018
   27    22 S   N    _N3_    24     1.38531   112.43588   156.50174
   28    27 S   H    _HN3    25     1.01660   120.28476    -2.12200
   29    24 S   S    _SG2    35     1.82965   110.55604   -68.81509
   30    27 S   CT   _CA3    26     1.45335   122.60698   178.48328
   31    30 S   HC   HA31    27     1.09566   107.84509   -55.05145
   32    30 S   HC   HA32    28     1.09559   107.59233    61.30856
   33    29 S   CT   _C17    36     1.88059   102.71248  -179.37976
   34    30 S   CO3  _C3_    29     1.52919   114.25853  -176.95966
   35    34 S   O2Z  _O31    30     1.26348   116.06171     0.10087
   36    34 S   O2Z  _O32    31     1.26435   114.41603  -179.94405
   37    33 S   CM   _C11    37     1.52630   109.26000   -57.26742
   38    37 S   HC   _H21    38     1.08080   124.77694   -64.15959
   39    33 S   CT   _C15    51     1.60783   112.99431   178.60507
   40    39 S   OM   _O15    52     1.32293   111.21685    55.43954
   41    39 S   HC   _H24    53     1.10294   104.79919  -175.66424
   42    37 S   CM   _C9_    39     1.34188   110.32666   116.91598
   43    42 S   HC   _H19    40     1.07834   125.84680   179.44222
   44    42 S   CM   _C10    41     1.44039   110.14527    -1.25195
   45    44 S   HC   _H20    42     1.07884   123.75861  -179.73020
   46    33 S   CM   _C13    43     1.54619   109.69586    51.22594
   47    46 S   CZ   _C5_    44     1.41799   124.47034    65.51441
   48    47 S   CZ   _C4_    45     1.20134   160.33901    20.39990
   49    48 S   CM   _C12    46     1.43548   158.50696     2.23467
   50    49 S   CM   _C8_    47     1.35442   117.65356     4.10060
   51    50 S   HC   _H18    48     1.08429   121.22484   179.84051
   52    49 S   C3T  _C16    54     1.46692   116.61668  -176.30091
   53    52 S   HC   _H25    55     1.08575   113.62331   -71.65067
   54    50 S   CZ   _C6_    49     1.43102   119.87553    -0.05234
   55    52 S   C3T  _C14    56     1.51057   118.96800    72.25463
   56    55 S   HC   _H22    57     1.08267   118.01913  -140.64774
   57    55 S   HC   _H23    58     1.08288   119.53302     6.80645
   58    54 S   CZ   _C7_    50     1.20344   160.67460     1.90660
   59    52 S   O3T  _O16    59     1.43934   122.74469   140.84327
  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  11   5   4   3
  14   2   1   1  11   5   9   4   3   5   3   4   2   4   4   8
  10   7   3   6   4   1   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    46    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    44    46    47    58    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    45    46    47    48    54    58    39    40    41  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    58    39    40    41  
   42    43    44    46    39  
   40    41    42    44    46    47    50    54    58  
   41    46    54    58  
   46    54    58  
   43    44    45    46    47  
   44    45    46  
   45    46    47    48  
   46    47  
   47    48    49    58  
   48    49    50    52  
   49    50    51    54    52    53    55    59  
   50    51    54    58    52    53    55    56    57    59  
   51    54    58    52    53    55    59  
   54    58    52  
   53    55    56    57    59    54  
   55    56    57    59  
   58  
   56    57    59  
   57    59  
   59  
    0  
    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   0.167500   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   48   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   55   3.5000   0.0660   0.056200   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   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   59   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
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    46   317.000  1.510
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   549.000  1.340
   42    43   340.000  1.080
   42    44   380.000  1.444
   44    45   340.000  1.080
   44    46   549.000  1.340
   46    47   400.000  1.423
   47    48   985.000  1.221
   48    49   400.000  1.423
   49    50   549.000  1.340
   49    52   305.000  1.480
   50    51   340.000  1.080
   50    54   400.000  1.423
   54    58   985.000  1.221
   58    39   390.000  1.470
   39    40   570.000  1.307
   39    41   340.000  1.090
   52    53   340.000  1.088
   52    55   260.000  1.509
   52    59   335.000  1.432
   55    56   340.000  1.088
   55    57   340.000  1.088
   55    59   335.000  1.432
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    46    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    46    44    70.00000  124.00000
   33    46    47    65.00000  118.62000
   33    39    58    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   37    42    43    35.00000  120.00000
   37    42    44    70.00000  123.01800
   42    37    38    35.00000  120.00000
   42    44    45    35.00000  120.00000
   42    44    46    70.00000  123.01800
   44    42    43    35.00000  120.00000
   44    46    47    65.00000  121.28400
   46    33    37    70.00000  110.12100
   46    44    45    35.00000  120.00000
   46    47    48    30.00000  178.29000
   47    48    49    30.00000  178.29000
   48    49    50    65.00000  121.28400
   48    49    52    65.00000  118.62000
   49    50    51    35.00000  120.00000
   49    50    54    65.00000  121.28400
   49    52    53    40.00000  112.45000
   49    52    55    60.00000  120.58800
   49    52    59    85.00000  114.23300
   50    54    58    30.00000  178.29000
   54    50    51    40.00000  117.14900
   54    58    39    30.00000  179.48800
   58    39    40    90.00000  109.17800
   58    39    41    35.00000  108.50000
   39    33    37    70.00000  112.02700
   39    33    46    70.00000  112.02700
   41    39    40    45.00000  125.66300
   52    49    50    55.00000  125.06700
   52    55    56    37.50000  117.20000
   52    55    57    37.50000  117.20000
   52    55    59    15.00000   60.43100
   52    59    55    15.00000   59.14900
   55    52    53    37.50000  117.20000
   57    55    56    35.00000  114.30000
   59    52    53    50.00000  114.27700
   59    52    55    15.00000   60.43100
   59    55    56    50.00000  114.27700
   59    55    57    50.00000  114.27700
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    46  -0.62250  1.0 1.0
   24    29    33    46  -0.38450 -1.0 2.0
   24    29    33    46   0.81900  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    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    46    44   0.42700  1.0 1.0
   29    33    46    44  -0.70350 -1.0 2.0
   29    33    46    44  -0.43150  1.0 3.0
   29    33    46    47   0.09700  1.0 1.0
   29    33    46    47   0.15600 -1.0 2.0
   29    33    46    47  -0.50800  1.0 3.0
   29    33    39    58   0.56750  1.0 1.0
   29    33    39    58  -0.07550 -1.0 2.0
   29    33    39    58   0.20000  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
   33    37    42    43   7.00000 -1.0 2.0
   33    37   -42    44   7.00000 -1.0 2.0
   33    46    47    48   0.00000  1.0 1.0
   37    33   -46    44  -0.28300  1.0 1.0
   37    33   -46    44   0.26700 -1.0 2.0
   37    33   -46    44  -0.63300  1.0 3.0
   37    33    46    47   0.09700  1.0 1.0
   37    33    46    47   0.15600 -1.0 2.0
   37    33    46    47  -0.50800  1.0 3.0
   37    33    39    58   0.56750  1.0 1.0
   37    33    39    58  -0.07550 -1.0 2.0
   37    33    39    58   0.20000  1.0 3.0
   37    33    39    40   0.61850  1.0 1.0
   37    33    39    40  -0.22750 -1.0 2.0
   37    33    39    40   0.15300  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    42    44    45  -0.18600  1.0 3.0
   37    42   -44    46   0.28850  1.0 1.0
   37    42   -44    46   2.61350 -1.0 2.0
   37    42   -44    46   0.78400  1.0 3.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    44   7.00000 -1.0 2.0
   42    44   -46    33   7.00000 -1.0 2.0
   42    44    46    47   7.00000 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    46  -0.18600  1.0 3.0
   44    46    47    48   0.00000  1.0 1.0
   45    44    46    33   7.00000 -1.0 2.0
   45    44    46    47   7.00000 -1.0 2.0
   46    33    37    38   0.00000  1.0 1.0
   46    33   -37    42  -0.28300  1.0 1.0
   46    33   -37    42   0.26700 -1.0 2.0
   46    33   -37    42  -0.63300  1.0 3.0
   46    33    39    58   0.56750  1.0 1.0
   46    33    39    58  -0.07550 -1.0 2.0
   46    33    39    58   0.20000  1.0 3.0
   46    33    39    40   0.61850  1.0 1.0
   46    33    39    40  -0.22750 -1.0 2.0
   46    33    39    40   0.15300  1.0 3.0
   46    33    39    41   0.15000  1.0 3.0
   46    47    48    49   0.00000  1.0 1.0
   47    48    49    50   0.00000  1.0 1.0
   47    48    49    52   0.00000  1.0 1.0
   48    49    50    51   7.00000 -1.0 2.0
   48    49    50    54   7.00000 -1.0 2.0
   48    49    52    53   0.00000  1.0 1.0
   48    49    52    55   0.09700  1.0 1.0
   48    49    52    55   0.15600 -1.0 2.0
   48    49    52    55  -0.50800  1.0 3.0
   48    49    52    59   0.09700  1.0 1.0
   48    49    52    59   0.15600 -1.0 2.0
   48    49    52    59  -0.50800  1.0 3.0
   49    50    54    58   0.00000  1.0 1.0
   49    52    55    56   0.15000  1.0 3.0
   49    52    55    57   0.15000  1.0 3.0
   49    52   -55    59   0.61850  1.0 1.0
   49    52   -55    59  -0.22750 -1.0 2.0
   49    52   -55    59   0.15300  1.0 3.0
   49    52   -59    55  -0.77900  1.0 1.0
   49    52   -59    55  -0.36900 -1.0 2.0
   49    52   -59    55   0.40400  1.0 3.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    55   0.09850  1.0 1.0
   50    49    52    55   0.15250 -1.0 2.0
   50    49    52    55  -0.50650  1.0 3.0
   50    49    52    59   0.39000  1.0 1.0
   50    49    52    59  -0.05800 -1.0 2.0
   50    49    52    59  -0.55150  1.0 3.0
   50    54    58    39   0.00000  1.0 1.0
   51    50    54    58   0.00000  1.0 1.0
   54    58    39    33   0.00000  1.0 1.0
   54    58    39    40   0.00000  1.0 1.0
   54    58    39    41   0.00000  1.0 1.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    46    44   0.09850  1.0 1.0
   39    33    46    44   0.15250 -1.0 2.0
   39    33    46    44  -0.50650  1.0 3.0
   39    33    46    47   0.09700  1.0 1.0
   39    33    46    47   0.15600 -1.0 2.0
   39    33    46    47  -0.50800  1.0 3.0
   52    49    50    51   7.00000 -1.0 2.0
   52    49    50    54   7.00000 -1.0 2.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52   -55    59   0.23400  1.0 3.0
   53    52   -59    55   0.36800  1.0 3.0
   56    55   -59    52   0.36800  1.0 3.0
   57    55   -59    52   0.36800  1.0 3.0
   59    52   -55    56   0.23400  1.0 3.0
   59    52   -55    57   0.23400  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    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   42    45    44    46   1.10000 -1.0 2.0
   33    47    46    44   1.10000 -1.0 2.0
   48    52    49    50   1.10000 -1.0 2.0
   54    51    50    49   1.10000 -1.0 2.0
END
