* LIGAND DATABASE FILE (OPLS2005)
*
001      53    53     95    145     279
    1     0 S   NP   _N1_     1    27.98053    95.70096   -23.53992
    2     1 S   H    _HN1     2     1.02835    26.76427   146.49511
    3     1 S   H    _H1_     3     1.02776   105.26484  -113.93228
    4     1 S   H    _H2_     4     1.02957    83.17436    -6.71779
    5     1 S   CT   _CA1     5     1.50141   132.39959   104.73211
    6     5 S   HC   _HA1     6     1.09575   105.19228    77.86233
    7     5 S   CO3  _C1_     7     1.53770   112.38480   -42.28950
    8     7 S   O2Z  _O11     8     1.26366   114.98672   -43.01161
    9     7 S   O2Z  _O12     9     1.26234   114.92823   136.02224
   10     5 S   CT   _CB1    10     1.53087   107.41656  -164.23659
   11    10 S   HC   HB11    11     1.09829   109.27864   -50.38247
   12    10 S   HC   HB12    12     1.09815   110.44328    66.15763
   13    10 S   CT   _CG1    13     1.53032   112.71045  -171.44811
   14    13 S   HC   HG11    14     1.09590   110.52551   -65.61610
   15    13 S   HC   HG12    15     1.09661   109.88393    53.60185
   16    13 S   C    _CD1    16     1.51848   112.26934   173.94152
   17    16 S   O    _OE1    17     1.22759   123.27552     2.50061
   18    16 S   N    _N2_    18     1.38581   111.77549  -177.46348
   19    18 S   H    _HN2    19     1.01557   119.05129     3.92201
   20    18 S   CT1  _CA2    20     1.45816   122.76560   177.28589
   21    20 S   HC   _HA2    21     1.09728   108.89812    25.46975
   22    20 S   C    _C2_    22     1.52947   106.96050   -91.58561
   23    22 S   O    _O2_    23     1.22978   123.03209   -27.20955
   24    20 S   CT   _CB2    32     1.53179   112.36312   148.72501
   25    24 S   HC   HB21    33     1.09601   110.29553    54.34911
   26    24 S   HC   HB22    34     1.09478   109.94245   173.31074
   27    22 S   N    _N3_    24     1.38487   112.57198   155.60908
   28    27 S   H    _HN3    25     1.01657   120.36096    -2.35493
   29    24 S   S    _SG2    35     1.82510   111.29011   -66.50052
   30    27 S   CT   _CA3    26     1.45362   122.49742   178.55599
   31    30 S   HC   HA31    27     1.09566   107.85504   -54.83224
   32    30 S   HC   HA32    28     1.09561   107.57610    61.51455
   33    29 S   CT   _C5_    36     1.82581    99.60099   174.57386
   34    33 S   HC   _H3_    37     1.09865   106.62383   -55.74718
   35    30 S   CO3  _C3_    29     1.52892   114.30351  -176.76263
   36    35 S   O2Z  _O31    30     1.26338   116.04493     0.05595
   37    35 S   O2Z  _O32    31     1.26431   114.41943   180.00000
   38    33 S   CT   _C4_    38     1.51751   113.56686    62.67655
   39    38 S   HC   _H4_    39     1.09384   113.73901    41.39782
   40    38 S   HC   _H5_    40     1.09354   111.57269   -84.44694
   41    38 S   CO4  _C7_    41     1.49797   101.71676   158.43850
   42    41 S   O    _O34    42     1.22154   125.32935   162.34195
   43    41 S   OS   _O33    43     1.36599   109.99194   -18.58775
   44    33 S   CT   _C6_    44     1.53669   116.41931  -177.25562
   45    44 S   CO3  _C10    45     1.56093   113.61741   -42.58107
   46    45 S   O2Z  _O38    46     1.26563   115.74301   -74.60375
   47    45 S   O2Z  _O37    47     1.26484   115.76428   103.71064
   48    44 S   CT   _C8_    48     1.53526   110.78631    86.44764
   49    48 S   HC   _H6_    49     1.09906   109.00562    55.84340
   50    48 S   HC   _H7_    50     1.09794   109.49031   -60.84896
   51    48 S   CO3  _C9_    51     1.53619   118.88127   175.32919
   52    51 S   O2Z  _O36    52     1.26067   116.90276   -15.98921
   53    51 S   O2Z  _O35    53     1.26632   113.97804   165.42854
  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
  15   8   2   1   1   8   5   4   5   2   8   9   6   2   1   5
   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    44    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    44    45    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46    47    48    49    50    51  
   38    39    40    41    43    44    45    48  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    48  
   40    41    42    43    44  
   41    42    43    44  
   42    43    44    45    48  
   43    44  
   44    45    46    47    48    49    50    51  
   45    46    47    48    49    50    51    52    53  
   46    47    48    49    50    51  
   47    48  
   48  
   49    50    51    52    53  
   50    51    52    53  
   51    52    53  
   52    53  
   53  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   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    44   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   317.000  1.522
   44    48   268.000  1.529
   45    46   656.000  1.250
   45    47   656.000  1.250
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   317.000  1.522
   51    52   656.000  1.250
   51    53   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    44    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    44    43    50.00000  109.50000
   33    44    45    70.00000  109.69300
   33    44    48    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    81.00000  111.40000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    85.00000  109.63000
   43    44    48    50.00000  109.50000
   44    33    34    37.50000  110.70000
   44    33    38    58.35000  112.70000
   44    45    46    70.00000  117.00000
   44    45    47    70.00000  117.00000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    51    70.00000  109.69300
   47    45    46    80.00000  126.00000
   48    44    45    70.00000  109.69300
   48    51    52    70.00000  117.00000
   48    51    53    70.00000  117.00000
   50    48    49    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    35.00000  109.50000
   53    51    52    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    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   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   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    44    43   0.56750  1.0 1.0
   29    33    44    43  -0.07550 -1.0 2.0
   29    33    44    43   0.20000  1.0 3.0
   29    33    44    45   0.56750  1.0 1.0
   29    33    44    45  -0.07550 -1.0 2.0
   29    33    44    45   0.20000  1.0 3.0
   29    33    44    48   0.44750  1.0 1.0
   29    33    44    48  -0.17800 -1.0 2.0
   29    33    44    48   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38   -41    43   0.36750  1.0 3.0
   33    44    45    46   0.41150 -1.0 2.0
   33    44    45    47   0.41150 -1.0 2.0
   33    44    48    49   0.15000  1.0 3.0
   33    44    48    50   0.15000  1.0 3.0
   33    44    48    51  -1.63150  1.0 1.0
   33    44    48    51  -0.43550 -1.0 2.0
   33    44    48    51   0.24500  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    41  -0.11250  1.0 3.0
   34    33    44    43   0.23400  1.0 3.0
   34    33    44    45  -0.11250  1.0 3.0
   34    33    44    48   0.15000  1.0 3.0
   38    33   -44    43   0.62750  1.0 1.0
   38    33   -44    43  -0.30950 -1.0 2.0
   38    33   -44    43   0.27300  1.0 3.0
   38    33    44    45  -1.63150  1.0 1.0
   38    33    44    45  -0.43550 -1.0 2.0
   38    33    44    45   0.24500  1.0 3.0
   38    33    44    48   0.56750  1.0 1.0
   38    33    44    48  -0.07550 -1.0 2.0
   38    33    44    48   0.20000  1.0 3.0
   38    41   -43    44   1.63150  1.0 1.0
   38    41   -43    44   2.92000 -1.0 2.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43   -44    33  -0.25900  1.0 1.0
   41    43   -44    33  -0.47000 -1.0 2.0
   41    43   -44    33   0.11750  1.0 3.0
   41    43    44    45  -1.80650  1.0 1.0
   41    43    44    45   0.63900 -1.0 2.0
   41    43    44    45   0.03650  1.0 3.0
   41    43    44    48  -0.25900  1.0 1.0
   41    43    44    48  -0.47000 -1.0 2.0
   41    43    44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    45    46   0.30150 -1.0 2.0
   43    44    45    47   0.30150 -1.0 2.0
   43    44    48    49   0.23400  1.0 3.0
   43    44    48    50   0.23400  1.0 3.0
   43    44    48    51  -3.35100  1.0 1.0
   43    44    48    51  -0.37050 -1.0 2.0
   43    44    48    51   0.22400  1.0 3.0
   44    33    38    39   0.15000  1.0 3.0
   44    33    38    40   0.15000  1.0 3.0
   44    33   -38    41  -0.95700  1.0 1.0
   44    33   -38    41  -0.18200 -1.0 2.0
   44    33   -38    41   0.29450  1.0 3.0
   44    48    51    52   0.41150 -1.0 2.0
   44    48    51    53   0.41150 -1.0 2.0
   45    44    48    49  -0.11250  1.0 3.0
   45    44    48    50  -0.11250  1.0 3.0
   45    44    48    51  -0.30950  1.0 1.0
   45    44    48    51   1.11150 -1.0 2.0
   45    44    48    51   0.40350  1.0 3.0
   48    44    45    46   0.41150 -1.0 2.0
   48    44    45    47   0.41150 -1.0 2.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    53   0.00000  1.0 1.0
   50    48    51    52   0.00000  1.0 1.0
   50    48    51    53   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
   38    43    41    42  10.50000 -1.0 2.0
   46    44    45    47  10.50000 -1.0 2.0
   52    48    51    53  10.50000 -1.0 2.0
END
