* LIGAND DATABASE FILE (OPLS2005)
*
001      60    60    105    163     313
    1     0 S   NP   _N1_     1    30.41502    93.24586   -17.36160
    2     1 S   H    _HN1     2     1.03386   121.74698     7.94522
    3     1 S   H    _H1_     3     1.02933   109.83119   134.12888
    4     1 S   H    _H2_     4     1.02725    17.61437    48.88036
    5     1 S   CT   _CA1     5     1.49907    94.88928  -112.14320
    6     5 S   HC   _HA1     6     1.09572   105.31962    60.73631
    7     5 S   CO3  _C1_     7     1.53722   112.44140   -59.68054
    8     7 S   O2Z  _O11     8     1.26381   115.07823   -46.19953
    9     7 S   O2Z  _O12     9     1.26252   114.95503   133.00445
   10     5 S   CT   _CB1    10     1.52944   107.26207   178.39234
   11    10 S   HC   HB11    11     1.09829   109.17938   -53.59405
   12    10 S   HC   HB12    12     1.09812   110.24497    62.47004
   13    10 S   CT   _CG1    13     1.53115   113.01708  -174.73936
   14    13 S   HC   HG11    14     1.09570   111.16321   -72.56725
   15    13 S   HC   HG12    15     1.09606   110.66325    46.97526
   16    13 S   C    _CD1    16     1.51417   110.27109   166.35992
   17    16 S   O    _OE1    17     1.22832   121.72010  -107.99901
   18    16 S   N    _N2_    18     1.38377   112.84002    70.67796
   19    18 S   H    _HN2    19     1.01567   119.15290     5.57186
   20    18 S   CT1  _CA2    20     1.46143   123.28650  -173.14156
   21    20 S   HC   _HA2    21     1.09729   109.34645    -5.93828
   22    20 S   C    _C2_    22     1.53303   108.81283  -121.87490
   23    22 S   O    _O2_    23     1.23041   122.38863  -147.20528
   24    20 S   CT   _CB2    32     1.53523   111.14097   115.54480
   25    24 S   HC   HB21    33     1.09594   109.70821    59.06932
   26    24 S   HC   HB22    34     1.09410   110.12556   178.07359
   27    22 S   N    _N3_    24     1.38398   113.59684    40.39637
   28    27 S   H    _HN3    25     1.01649   119.56739    -3.95636
   29    24 S   S    _SG2    35     1.82877   111.57143   -61.53009
   30    27 S   CT   _CA3    26     1.45296   122.85285   176.72404
   31    30 S   HC   HA31    27     1.09563   107.61307   -61.02959
   32    30 S   HC   HA32    28     1.09568   107.79675    55.28716
   33    29 S   CT   _C12    36     1.84982    99.85655   171.37657
   34    33 S   HC   _H6_    37     1.09586   107.10248   -20.69641
   35    30 S   CO3  _C3_    29     1.52873   114.34895   177.24821
   36    35 S   O2Z  _O31    30     1.26324   116.10859     0.32805
   37    35 S   O2Z  _O32    31     1.26448   114.38023  -179.66138
   38    33 S   CT   _C11    38     1.54516   108.82536   100.66550
   39    38 S   HC   _H5_    39     1.09944   109.87255    40.35435
   40    38 S   CM   _C10    40     1.51120   113.68352   158.89954
   41    40 S   HC   _H10    41     1.08774   117.80401   171.54186
   42    38 S   CO3  _C13    58     1.54376   112.75773   -80.96969
   43    42 S   O2Z  _O37    59     1.26338   116.34290   -43.42079
   44    42 S   O2Z  _O36    60     1.26570   114.53851   137.01102
   45    40 S   CM   _C9_    42     1.33923   123.49705    -8.39007
   46    45 S   HC   _H9_    43     1.08616   119.25931   178.58847
   47    45 S   CT   _C8_    44     1.49735   122.97647    -1.61798
   48    47 S   HC   _H4_    45     1.09545   109.54123  -141.11679
   49    33 S   CT   _C7_    46     1.54896   109.30790  -137.56841
   50    49 S   HC   _H3_    47     1.09936   108.13369   -59.15434
   51    47 S   OH   _O38    56     1.42909   107.83113   102.55520
   52    51 S   HO   _H11    57     0.97209   107.66510    57.47372
   53    49 S   OS   _O35    48     1.44109   108.74029    61.02959
   54    53 S   CM   _C5_    49     1.37870   115.04147  -167.22701
   55    54 S   CM   _C4_    50     1.33678   121.43128  -134.35859
   56    55 S   HC   _H7_    51     1.08491   120.55957     2.30214
   57    55 S   HC   _H8_    52     1.08481   121.69274  -178.15772
   58    54 S   CO3  _C6_    53     1.52991   120.31508    50.00538
   59    58 S   O2Z  _O34    54     1.26359   115.37225  -108.77294
   60    58 S   O2Z  _O33    55     1.26552   114.81038    72.01161
  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
    8     5     7     9  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    35    37  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
