* LIGAND DATABASE FILE (OPLS2005)
*
001      60    59    104    154     307
    1     0 S   NP   _N1_     1    28.00582    96.11441   -24.73633
    2     1 S   H    _HN1     2     1.02957    80.27089    -2.93938
    3     1 S   H    _H1_     3     1.02835    27.51827   163.63022
    4     1 S   H    _H2_     4     1.02776   111.60419  -108.93567
    5     1 S   CT   _CA1     5     1.50138   127.97669   105.38891
    6     5 S   HC   _HA1     6     1.09576   105.19312    83.99395
    7     5 S   CO3  _C1_     7     1.53766   112.38728   -36.15407
    8     7 S   O2Z  _O11     8     1.26364   114.98774   -43.15540
    9     7 S   O2Z  _O12     9     1.26235   114.92663   135.89111
   10     5 S   CT   _CB1    10     1.53090   107.41858  -158.11486
   11    10 S   HC   HB11    11     1.09829   109.26610   -50.52008
   12    10 S   HC   HB12    12     1.09815   110.44975    66.01693
   13    10 S   CT   _CG1    13     1.53032   112.70999  -171.59260
   14    13 S   HC   HG11    14     1.09591   110.52019   -65.72597
   15    13 S   HC   HG12    15     1.09661   109.88392    53.48585
   16    13 S   C    _CD1    16     1.51850   112.28283   173.81525
   17    16 S   O    _OE1    17     1.22758   123.27652     2.32532
   18    16 S   N    _N2_    18     1.38569   111.76084  -177.61797
   19    18 S   H    _HN2    19     1.01561   119.04144     3.93009
   20    18 S   CT1  _CA2    20     1.45815   122.80438   177.16110
   21    20 S   HC   _HA2    21     1.09732   108.91579    24.99694
   22    20 S   C    _C2_    22     1.52962   107.04158   -91.97089
   23    22 S   O    _O2_    23     1.22972   123.07802   -26.11916
   24    20 S   CT   _CB2    32     1.53137   112.29219   148.23748
   25    24 S   HC   HB21    33     1.09604   110.30318    53.56815
   26    24 S   HC   HB22    34     1.09494   110.05151   172.51559
   27    22 S   N    _N3_    24     1.38504   112.52912   156.61203
   28    27 S   H    _HN3    25     1.01654   120.33796    -2.38884
   29    24 S   S    _SG2    35     1.82595   111.24312   -67.19505
   30    27 S   CT   _CA3    26     1.45355   122.53253   178.46278
   31    30 S   HC   HA31    27     1.09568   107.87648   -54.22052
   32    30 S   HC   HA32    28     1.09560   107.56295    62.13649
   33    29 S   CT   _C6_    36     1.83490    99.21284   177.05503
   34    33 S   HC   _H3_    37     1.09453   106.95484   -48.52815
   35    30 S   CO3  _C3_    29     1.52900   114.28377  -176.17756
   36    35 S   O2Z  _O31    30     1.26344   116.04911    -0.51320
   37    35 S   O2Z  _O32    31     1.26430   114.42078   179.44362
   38    33 S   CT   _C7_    38     1.55120   113.87045  -168.19508
   39    38 S   HC   _H4_    39     1.10015   106.98664  -177.31219
   40    33 S   N    _N4_    53     1.45667   108.80736    66.76710
   41    40 S   H    _H9_    54     1.01499   116.90431    43.22684
   42    38 S   CO3  _C11    40     1.55356   109.84850   -63.71482
   43    42 S   O2Z  _O38    41     1.26239   116.62538   101.66185
   44    42 S   O2Z  _O37    42     1.26642   114.69768   -78.11686
   45    38 S   CT   _C8_    43     1.54869   114.03226    63.15614
   46    45 S   HC   _H5_    44     1.09771   110.34932   -68.49933
   47    40 S   C    _C5_    55     1.38170   123.43570  -142.56237
   48    47 S   O    _O33    56     1.22757   125.69613     3.27291
   49    45 S   CO3  _C10    45     1.54709   112.51249   171.81170
   50    49 S   O2Z  _O36    46     1.26396   115.93224   -43.73384
   51    49 S   O2Z  _O35    47     1.26481   114.78866   138.19374
   52    45 S   CT   _C9_    48     1.53558   114.90282    53.69031
   53    52 S   HC   _H10    49     1.09604   111.93815   166.38263
   54    52 S   HC   _H11    50     1.09468   110.28643   -74.85260
   55    47 S   CT   _C4_    57     1.50440   112.24584  -177.67948
   56    55 S   HC   _H6_    58     1.09379   110.10073    53.16224
   57    55 S   HC   _H7_    59     1.09352   109.58264   -67.33819
   58    55 S   HC   _H8_    60     1.09345   109.72675   172.82493
   59    52 S   OH   _O34    51     1.42326   112.22725    44.81334
   60    59 S   HO   _H12    52     0.97440   107.26665    51.03287
  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   9   5   4   3
  15   7   2   1   1  16   8   9   3   6   2   1   9   7   5   4
   6   2   1   4   3   2   3   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    45    40    41    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    44    45    46    49    52    40    41    47    48    55  
   38    39    42    45    40    41    47  
   36    37  
   37  
    0  
   39    42    43    44    45    46    49    50    51    52    53    54    59    40    41    47  
   42    43    44    45    46    49    52    40  
   41    47    48    55    56    57    58    42    45  
   47    48    55  
   43    44    45    46    49    52  
   44    45  
   45  
   46    49    50    51    52    53    54    59    60  
   49    50    51    52    53    54    59  
   48    55    56    57    58  
   55    56    57    58  
   50    51    52    53    54    59  
   51    52  
   52  
   53    54    59    60  
   54    59    60  
   59    60  
   56    57    58  
   57    58  
   58  
    0  
   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   0.307500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.3810   1.2100   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   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   41   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   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   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   49   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    40   337.000  1.449
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    45   268.000  1.529
   42    43   656.000  1.250
   42    44   656.000  1.250
   45    46   340.000  1.090
   45    49   317.000  1.522
   45    52   268.000  1.529
   49    50   656.000  1.250
   49    51   656.000  1.250
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   320.000  1.410
   59    60   553.000  0.945
   40    41   434.000  1.010
   40    47   490.000  1.335
   47    48   570.000  1.229
   47    55   317.000  1.522
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
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    40    80.00000  108.62000
   33    38    39    37.50000  110.70000
   33    38    42    70.00000  109.69300
   33    38    45    58.35000  112.70000
   33    40    41    38.00000  118.40000
   33    40    47    50.00000  121.90000
   38    33    34    37.50000  110.70000
   38    42    43    70.00000  117.00000
   38    42    44    70.00000  117.00000
   38    45    46    37.50000  110.70000
   38    45    49    70.00000  109.69300
   38    45    52    58.35000  112.70000
   42    38    39    35.00000  109.50000
   44    42    43    80.00000  126.00000
   45    38    39    37.50000  110.70000
   45    38    42    70.00000  109.69300
   45    49    50    70.00000  117.00000
   45    49    51    70.00000  117.00000
   45    52    53    37.50000  110.70000
   45    52    54    37.50000  110.70000
   45    52    59    50.00000  109.50000
   49    45    46    35.00000  109.50000
   51    49    50    80.00000  126.00000
   52    45    46    37.50000  110.70000
   52    45    49    70.00000  109.69300
   52    59    60    55.00000  108.50000
   54    52    53    33.00000  107.80000
   59    52    53    35.00000  109.50000
   59    52    54    35.00000  109.50000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.72300
   40    47    48    80.00000  122.90000
   40    47    55    70.00000  116.60000
   47    40    41    35.00000  119.80000
   47    55    56    35.00000  109.50000
   47    55    57    35.00000  109.50000
   47    55    58    35.00000  109.50000
   55    47    48    80.00000  120.40000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    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    38    45   0.44750  1.0 1.0
   29    33    38    45  -0.17800 -1.0 2.0
   29    33    38    45   0.20200  1.0 3.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    47  -0.42300  1.0 1.0
   29    33    40    47  -0.07000 -1.0 2.0
   29    33    40    47   0.04150  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    38    45    46   0.15000  1.0 3.0
   33    38    45    49  -1.63150  1.0 1.0
   33    38    45    49  -0.43550 -1.0 2.0
   33    38    45    49   0.24500  1.0 3.0
   33    38    45    52   0.56750  1.0 1.0
   33    38    45    52  -0.07550 -1.0 2.0
   33    38    45    52   0.20000  1.0 3.0
   33    40    47    48   3.04450 -1.0 2.0
   33    40    47    55   1.49850  1.0 1.0
   33    40    47    55   1.53950 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42  -0.11250  1.0 3.0
   34    33    38    45   0.15000  1.0 3.0
   34    33    40    41   0.00000  1.0 1.0
   34    33    40    47   0.00000  1.0 1.0
   38    33    40    41   0.00000  1.0 1.0
   38    33    40    47  -0.43950  1.0 1.0
   38    33    40    47  -0.08100 -1.0 2.0
   38    33    40    47   0.03350  1.0 3.0
   38    45    49    50   0.41150 -1.0 2.0
   38    45    49    51   0.41150 -1.0 2.0
   38    45    52    53   0.15000  1.0 3.0
   38    45    52    54   0.15000  1.0 3.0
   38    45    52    59   0.86500  1.0 1.0
   38    45    52    59  -0.17500 -1.0 2.0
   38    45    52    59   0.20800  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    44   0.00000  1.0 1.0
   39    38    45    46   0.15000  1.0 3.0
   39    38    45    49  -0.11250  1.0 3.0
   39    38    45    52   0.15000  1.0 3.0
   42    38    45    46  -0.11250  1.0 3.0
   42    38    45    49  -0.30950  1.0 1.0
   42    38    45    49   1.11150 -1.0 2.0
   42    38    45    49   0.40350  1.0 3.0
   42    38    45    52  -1.63150  1.0 1.0
   42    38    45    52  -0.43550 -1.0 2.0
   42    38    45    52   0.24500  1.0 3.0
   45    38    42    43   0.41150 -1.0 2.0
   45    38    42    44   0.41150 -1.0 2.0
   45    52    59    60  -0.11600  1.0 1.0
   45    52    59    60  -0.09450 -1.0 2.0
   45    52    59    60   0.21250  1.0 3.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    51   0.00000  1.0 1.0
   46    45    52    53   0.15000  1.0 3.0
   46    45    52    54   0.15000  1.0 3.0
   46    45    52    59   0.23400  1.0 3.0
   49    45    52    53  -0.11250  1.0 3.0
   49    45    52    54  -0.11250  1.0 3.0
   49    45    52    59  -5.33000  1.0 1.0
   49    45    52    59  -0.54250 -1.0 2.0
   49    45    52    59  -0.07300  1.0 3.0
   52    45    49    50   0.41150 -1.0 2.0
   52    45    49    51   0.41150 -1.0 2.0
   53    52    59    60   0.19450  1.0 3.0
   54    52    59    60   0.19450  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42  -4.61400  1.0 1.0
   40    33    38    45   0.43900  1.0 1.0
   40    33    38    45   0.49100 -1.0 2.0
   40    33    38    45   0.28400  1.0 3.0
   40    47    55    56   0.00000  1.0 1.0
   40    47    55    57   0.00000  1.0 1.0
   40    47    55    58   0.00000  1.0 1.0
   41    40    47    48   2.45000 -1.0 2.0
   41    40    47    55   2.45000 -1.0 2.0
   48    47    55    56   0.00000  1.0 1.0
   48    47    55    57   0.00000  1.0 1.0
   48    47    55    58   0.00000  1.0 1.0
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
   43    38    42    44  10.50000 -1.0 2.0
   50    45    49    51  10.50000 -1.0 2.0
   41    47    40    33   1.00000 -1.0 2.0
   40    55    47    48  10.50000 -1.0 2.0
END
