* LIGAND DATABASE FILE (OPLS2005)
*
001      60    60    105    163     313
    1     0 S   NP   _N1_     1    30.39449    93.60362   -16.87833
    2     1 S   H    _HN1     2     1.02945   117.44365   129.16483
    3     1 S   H    _H1_     3     1.02720    19.91566    65.32734
    4     1 S   H    _H2_     4     1.03409   117.28943    -0.56128
    5     1 S   CT   _CA1     5     1.49973    91.61091  -116.68837
    6     5 S   HC   _HA1     6     1.09565   105.35359    54.06599
    7     5 S   CO3  _C1_     7     1.53688   112.63289   -66.53105
    8     7 S   O2Z  _O11     8     1.26377   115.09955   -44.61110
    9     7 S   O2Z  _O12     9     1.26257   114.95225   134.78894
   10     5 S   CT   _CB1    10     1.52865   107.14988   171.78881
   11    10 S   HC   HB11    11     1.09821   109.09402   -53.35644
   12    10 S   HC   HB12    12     1.09819   110.14058    62.61950
   13    10 S   CT   _CG1    13     1.53145   113.32784  -174.49729
   14    13 S   HC   HG11    14     1.09555   111.23594   -72.31455
   15    13 S   HC   HG12    15     1.09592   110.74319    47.43668
   16    13 S   C    _CD1    16     1.51419   109.81021   166.71476
   17    16 S   O    _OE1    17     1.22806   121.77467  -106.92083
   18    16 S   N    _N2_    18     1.38388   112.75690    71.22946
   19    18 S   H    _HN2    19     1.01555   119.14282     7.43867
   20    18 S   CT1  _CA2    20     1.46148   123.26645  -169.96461
   21    20 S   HC   _HA2    21     1.09722   109.37394    -1.82252
   22    20 S   C    _C2_    22     1.53283   108.82948  -118.09282
   23    22 S   O    _O2_    23     1.23032   122.19683  -143.85863
   24    20 S   CT   _CB2    32     1.53603   110.98675   119.42874
   25    24 S   HC   HB21    33     1.09595   109.65698    61.95435
   26    24 S   HC   HB22    34     1.09481   110.17009  -179.20230
   27    22 S   N    _N3_    24     1.38496   113.49008    43.31291
   28    27 S   H    _HN3    25     1.01516   118.97647    -0.11014
   29    24 S   S    _SG2    35     1.82919   111.69325   -58.49334
   30    27 S   CT   _CA3    26     1.45435   123.28210   175.66813
   31    30 S   HC   HA31    27     1.09537   109.03330    28.07892
   32    30 S   HC   HA32    28     1.09493   107.16039   145.00476
   33    29 S   CT   _C13    36     1.84453    99.74547   169.28083
   34    33 S   HC   _H3_    37     1.09887   105.60944   -41.27704
   35    30 S   CO3  _C3_    29     1.52925   113.29952   -95.29352
   36    35 S   O2Z  _O31    30     1.26388   115.47070   -44.15703
   37    35 S   O2Z  _O32    31     1.26371   114.94928   136.84731
   38    33 S   CT   _C10    38     1.54053   111.31471    76.41898
   39    38 S   HC   _H22    39     1.09921   107.32807   -72.65466
   40    38 S   CM   _C4_    40     1.50814   111.84185   170.43953
   41    40 S   HC   _H18    41     1.08746   117.55171   162.01935
   42    38 S   CO3  _C9_    58     1.54707   118.32632    49.21454
   43    42 S   O2Z  _O34    59     1.26602   114.45421  -137.35148
   44    42 S   O2Z  _O14    60     1.26257   116.33468    43.15373
   45    40 S   CM   _C5_    42     1.33830   123.39950   -17.55408
   46    45 S   HC   _H19    43     1.08683   118.86506   178.85056
   47    45 S   CT   _C11    44     1.49724   123.70184    -0.82851
   48    47 S   HC   _H23    45     1.09680   107.52202   114.56806
   49    33 S   CT   _C12    46     1.54830   110.50916  -156.22467
   50    49 S   HC   _H24    47     1.09648   109.98964   -56.41502
   51    47 S   OH   _O15    56     1.42937   107.71850  -131.59209
   52    51 S   HO   _H26    57     0.97322   107.96251    78.39887
   53    49 S   OS   _O16    48     1.44905   107.04775    63.15602
   54    53 S   CM   _C7_    49     1.37779   114.60420  -161.41185
   55    54 S   CM   _C6_    50     1.33683   121.73426  -125.72232
   56    55 S   HC   _H20    51     1.08470   120.63913     3.24130
   57    55 S   HC   _H21    52     1.08484   121.60941  -177.31970
   58    54 S   CO3  _C8_    53     1.52986   119.73657    60.41399
   59    58 S   O2Z  _O33    54     1.26580   114.70919    71.17487
   60    58 S   O2Z  _O13    55     1.26349   115.44992  -110.03457
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  12   7  10   4   4   1   1   8   4   7   5
   7   3   2   1   7   6   5   2   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    49    50    53    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    47    48    49    50    53    54    51    42    43    44  
   38    39    40    47    49    50    53    42  
   36    37  
   37  
    0  
   39    40    41    45    46    47    49    50    53    42    43    44  
   40    41    45    49    42    43    44  
   41    45    46    47    48    49    51    42    43    44  
   45    46    47    42  
   43    44    45    49  
   44  
    0  
   46    47    48    49    50    53    51    52  
   47    48    49    51  
   48    49    50    53    54    51    52  
   49    50    53    51    52  
   50    53    54    55    58    51    52  
   53    54    51  
   52    53  
    0  
   54    55    56    57    58    59    60  
   55    56    57    58    59    60  
   56    57    58    59    60  
   57    58  
   58  
   59    60  
   60  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   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  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   54   3.5500   0.0760  -0.225300   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   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    49   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.510
   38    42   317.000  1.522
   40    41   340.000  1.080
   40    45   549.000  1.340
   45    46   340.000  1.080
   45    47   317.000  1.510
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    51   320.000  1.410
   49    50   340.000  1.090
   49    53   320.000  1.410
   53    54   440.000  1.360
   54    55   549.000  1.340
   54    58   230.000  1.545
   55    56   340.000  1.080
   55    57   340.000  1.080
   58    59   656.000  1.250
   58    60   656.000  1.250
   51    52   553.000  0.945
   42    43   656.000  1.250
   42    44   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    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    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.02700
   33    38    42    70.00000  109.69300
   33    49    47    58.35000  112.70000
   33    49    50    37.50000  110.70000
   33    49    53    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    35.00000  117.00000
   38    40    45    70.00000  124.00000
   38    42    43    70.00000  117.00000
   38    42    44    70.00000  117.00000
   40    38    39    35.00000  109.50000
   40    45    46    35.00000  120.00000
   40    45    47    70.00000  124.00000
   45    40    41    35.00000  120.00000
   45    47    48    35.00000  109.50000
   45    47    49    70.00000  112.02700
   45    47    51    90.00000  110.39200
   47    45    46    35.00000  117.00000
   47    49    50    37.50000  110.70000
   47    49    53    50.00000  109.50000
   47    51    52    55.00000  108.50000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    53    54    90.00000  111.18400
   53    49    50    35.00000  109.50000
   53    54    55    80.00000  120.01400
   53    54    58    80.00000  119.00000
   54    55    56    35.00000  120.00000
   54    55    57    35.00000  120.00000
   54    58    59    85.00000  113.83300
   54    58    60    85.00000  113.83300
   57    55    56    35.00000  117.00000
   58    54    55    55.00000  124.75400
   60    58    59    80.00000  126.00000
   51    47    48    35.00000  109.50000
   51    47    49    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    65.00000  111.94000
   44    42    43    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    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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    49    47   0.44750  1.0 1.0
   29    33    49    47  -0.17800 -1.0 2.0
   29    33    49    47   0.20200  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    53   0.56750  1.0 1.0
   29    33    49    53  -0.07550 -1.0 2.0
   29    33    49    53   0.20000  1.0 3.0
   33    38    40    41   0.00000  1.0 1.0
   33    38    40    45   0.09850  1.0 1.0
   33    38    40    45   0.15250 -1.0 2.0
   33    38    40    45  -0.50650  1.0 3.0
   33    38    42    43   0.41150 -1.0 2.0
   33    38    42    44   0.41150 -1.0 2.0
   33    49    53    54  -0.46850  1.0 1.0
   33    49    53    54   0.09300 -1.0 2.0
   33    49    53    54  -0.12850  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42  -0.11250  1.0 3.0
   34    33    49    47   0.15000  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    53   0.23400  1.0 3.0
   38    33    49    47   0.56750  1.0 1.0
   38    33    49    47  -0.07550 -1.0 2.0
   38    33    49    47   0.20000  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    53   0.62750  1.0 1.0
   38    33    49    53  -0.30950 -1.0 2.0
   38    33    49    53   0.27300  1.0 3.0
   38    40    45    46   7.00000 -1.0 2.0
   38    40   -45    47   7.00000 -1.0 2.0
   39    38    40    41   0.33100  1.0 3.0
   39    38    40    45   0.00000  1.0 1.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    44   0.00000  1.0 1.0
   40    38    42    43   0.30150 -1.0 2.0
   40    38    42    44   0.30150 -1.0 2.0
   40    45    47    48   0.00000  1.0 1.0
   40    45    47    49   0.09850  1.0 1.0
   40    45    47    49   0.15250 -1.0 2.0
   40    45    47    49  -0.50650  1.0 3.0
   40    45    47    51   0.67800  1.0 1.0
   40    45    47    51   0.47050 -1.0 2.0
   40    45    47    51  -0.62500  1.0 3.0
   41    40    45    46   7.00000 -1.0 2.0
   41    40    45    47   7.00000 -1.0 2.0
   45    47   -49    33   0.34400  1.0 1.0
   45    47   -49    33   0.09450 -1.0 2.0
   45    47   -49    33   0.11100  1.0 3.0
   45    47    49    50   0.15000  1.0 3.0
   45    47    49    53   0.61850  1.0 1.0
   45    47    49    53  -0.22750 -1.0 2.0
   45    47    49    53   0.15300  1.0 3.0
   45    47    51    52  -0.07800  1.0 1.0
   45    47    51    52  -0.21500 -1.0 2.0
   45    47    51    52  -0.03150  1.0 3.0
   46    45    47    48   0.33100  1.0 3.0
   46    45    47    49   0.00000  1.0 1.0
   46    45    47    51   0.00000  1.0 1.0
   47    49    53    54  -0.46850  1.0 1.0
   47    49    53    54   0.09300 -1.0 2.0
   47    49    53    54  -0.12850  1.0 3.0
   48    47    49    33   0.15000  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    53   0.23400  1.0 3.0
   48    47    51    52   0.19450  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33   -38    40   0.34400  1.0 1.0
   49    33   -38    40   0.09450 -1.0 2.0
   49    33   -38    40   0.11100  1.0 3.0
   49    33    38    42  -1.63150  1.0 1.0
   49    33    38    42  -0.43550 -1.0 2.0
   49    33    38    42   0.24500  1.0 3.0
   49    47    51    52  -0.11600  1.0 1.0
   49    47    51    52  -0.09450 -1.0 2.0
   49    47    51    52   0.21250  1.0 3.0
   49    53    54    55  -2.26850  1.0 1.0
   49    53    54    55   3.39050 -1.0 2.0
   49    53    54    58   0.15100 -1.0 2.0
   50    49    53    54   0.08050  1.0 3.0
   53    54    55    56   7.00000 -1.0 2.0
   53    54    55    57   7.00000 -1.0 2.0
   53    54    58    59  -0.11900  1.0 1.0
   53    54    58    59   0.76850 -1.0 2.0
   53    54    58    59   0.14100  1.0 3.0
   53    54    58    60  -0.11900  1.0 1.0
   53    54    58    60   0.76850 -1.0 2.0
   53    54    58    60   0.14100  1.0 3.0
   55    54    58    59  -0.04000 -1.0 2.0
   55    54    58    59  -0.29050  1.0 3.0
   55    54    58    60  -0.04000 -1.0 2.0
   55    54    58    60  -0.29050  1.0 3.0
   58    54    55    56   7.00000 -1.0 2.0
   58    54    55    57   7.00000 -1.0 2.0
   51    47    49    33   0.86500  1.0 1.0
   51    47    49    33  -0.17500 -1.0 2.0
   51    47    49    33   0.20800  1.0 3.0
   51    47    49    50   0.23400  1.0 3.0
   51    47    49    53   3.69350  1.0 1.0
   51    47    49    53  -1.82950 -1.0 2.0
   42    38    40    41   0.00000  1.0 1.0
   42    38    40    45  -0.51250  1.0 1.0
   42    38    40    45  -0.88800 -1.0 2.0
   42    38    40    45   0.08850  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    41    40    45   1.10000 -1.0 2.0
   47    46    45    40   1.10000 -1.0 2.0
   53    58    54    55  15.00000 -1.0 2.0
   56    57    55    54  15.00000 -1.0 2.0
   59    54    58    60  10.50000 -1.0 2.0
   43    38    42    44  10.50000 -1.0 2.0
END
