* LIGAND DATABASE FILE (OPLS2005)
*
001      54    54     94    133     268
    1     0 S   NP   _N1_     1    28.29066    95.58492   -22.58685
    2     1 S   H    _HN1     2     1.02957    80.97528    -3.79313
    3     1 S   H    _H1_     3     1.02835    30.44484   145.09624
    4     1 S   H    _H2_     4     1.02776   102.45960  -110.72062
    5     1 S   CT   _CA1     5     1.50133   136.56632   106.40880
    6     5 S   HC   _HA1     6     1.09574   105.21173    78.98436
    7     5 S   CO3  _C1_     7     1.53783   112.35415   -41.20314
    8     7 S   O2Z  _O11     8     1.26367   114.99484   -43.94248
    9     7 S   O2Z  _O12     9     1.26234   114.93223   135.13214
   10     5 S   CT   _CB1    10     1.53094   107.41864  -163.10771
   11    10 S   HC   HB11    11     1.09828   109.32752   -50.42138
   12    10 S   HC   HB12    12     1.09816   110.42882    66.13071
   13    10 S   CT   _CG1    13     1.53025   112.68246  -171.48489
   14    13 S   HC   HG11    14     1.09592   110.50339   -64.55239
   15    13 S   HC   HG12    15     1.09657   109.90812    54.65348
   16    13 S   C    _CD1    16     1.51848   112.29463   175.02311
   17    16 S   O    _OE1    17     1.22758   123.26575     1.00717
   18    16 S   N    _N2_    18     1.38548   111.72141  -179.00240
   19    18 S   H    _HN2    19     1.01557   119.08192     4.26655
   20    18 S   CT1  _CA2    20     1.45827   122.89498   177.94043
   21    20 S   HC   _HA2    21     1.09744   108.87835    24.57313
   22    20 S   C    _C2_    22     1.52988   107.22745   -92.29266
   23    22 S   O    _O2_    23     1.22976   123.12883   -24.83753
   24    20 S   CT   _CB2    32     1.53209   112.21410   147.71021
   25    24 S   HC   HB21    33     1.09526   110.07407    53.53384
   26    24 S   HC   HB22    34     1.09374   109.57497   172.48462
   27    22 S   N    _N3_    24     1.38542   112.50075   157.67584
   28    27 S   H    _HN3    25     1.01663   120.29540    -1.64853
   29    24 S   S    _SG2    35     1.82574   110.98220   -67.40597
   30    27 S   CT   _CA3    26     1.45330   122.52873   178.40088
   31    30 S   HC   HA31    27     1.09569   107.75303   -56.50202
   32    30 S   HC   HA32    28     1.09561   107.65286    59.81770
   33    29 S   CT   _C7_    36     1.85295   100.40603   178.79764
   34    33 S   Cl   Cl1_    37     1.81941   105.56724  -175.33814
   35    30 S   CO3  _C3_    29     1.52900   114.35223  -178.39355
   36    35 S   O2Z  _O31    30     1.26333   116.10912    -1.06991
   37    35 S   O2Z  _O32    31     1.26450   114.39394   178.96297
   38    33 S   NI   _N6_    38     1.46038   116.20350   -59.45037
   39    38 S   CDX  _C8_    39     1.29333   117.19801   109.46137
   40    39 S   NI   _N7_    40     1.37225   122.19875     0.30647
   41    39 S   NE   _N8_    52     1.36843   120.20853  -179.27207
   42    41 S   H    _H9_    53     1.01243   120.71293  -179.90721
   43    41 S   H    _H10    54     1.01241   120.77321    -0.43476
   44    40 S   CDX  _C6_    41     1.29962   119.83413    11.98216
   45    33 S   NM   _N5_    42     1.45222   109.77346    73.94008
   46    44 S   NE   _N4_    43     1.37785   121.25839   178.75778
   47    46 S   H    _H8_    44     1.01574   116.19391    -0.11364
   48    46 S   CT   _C5_    45     1.45115   127.22793   177.33898
   49    48 S   HC   _H6_    46     1.09573   110.01378   -57.60144
   50    48 S   HC   _H7_    47     1.09553   110.00666    61.68249
   51    48 S   CT   _C4_    48     1.51938   110.16306  -177.88151
   52    51 S   HC   _H3_    49     1.09518   111.01841   -59.91447
   53    51 S   HC   _H4_    50     1.09527   110.99488    59.99231
   54    51 S   HC   _H5_    51     1.09432   110.40868  -179.98022
  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   6   5   4   3
   8   4   2   1   1   7   7   8   3   1   1   7   3   8   4   6
   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    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    46    41  
   38    39    44    45  
   36    37  
   37  
    0  
   39    40    44    45    41    42    43  
   40    44    45    46    41    42    43  
   44    45    46    47    48    41    42    43  
   42    43    44  
   43  
    0  
   45    46    47    48    49    50    51  
   46    47    48  
   47    48    49    50    51    52    53    54  
   48    49    50    51  
   49    50    51    52    53    54  
   50    51    52    53    54  
   51    52    53    54  
   52    53    54  
   53    54  
   54  
    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  -0.175000   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   0.452500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   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   3.2800   0.1700  -0.481500   1.8540   1.6400   0.005000000   0.000000000
   39   3.7500   0.1050   0.693000   2.1120   1.8750   0.001000000  -0.126889456
   40   3.2800   0.1700  -0.718000   1.8540   1.6400   0.005000000   0.000000000
   41   3.2500   0.1700  -0.795000   1.8650   1.6500   0.051222218  -2.220205820
   42   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   43   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.7500   0.1050   0.456500   2.1120   1.8750   0.001000000  -0.126889456
   45   3.4200   0.1700  -1.245000   1.9310   1.7100   0.005000000   0.000000000
   46   3.2500   0.1700  -0.507500   1.8650   1.6500   0.051222218  -2.220205820
   47   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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   245.000  1.781
   33    38   315.000  1.435
   33    45   320.000  1.444
   38    39   650.000  1.285
   39    40   630.000  1.388
   39    41   445.000  1.380
   40    44   650.000  1.285
   44    45   430.000  1.365
   44    46   445.000  1.380
   46    47   434.000  1.010
   46    48   382.000  1.448
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   41    42   434.000  1.010
   41    43   434.000  1.010
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    85.00000  110.65400
   29    33    38    75.00000  111.34000
   29    33    45    85.00000  109.00000
   33    38    39    75.00000  112.28000
   33    45    44    70.00000  118.22000
   38    33    34    85.00000  105.00000
   38    39    40    75.00000  130.08800
   38    39    41    75.00000  124.36500
   39    40    44    80.00000  112.53000
   39    41    42    35.00000  119.50000
   39    41    43    35.00000  119.50000
   40    44    45    75.00000  125.50000
   40    44    46    75.00000  124.36500
   44    46    47    35.00000  119.50000
   44    46    48    50.00000  119.50000
   45    33    34    85.00000  105.00000
   45    33    38    85.00000  109.00000
   46    44    45    80.00000  117.43000
   46    48    49    35.00000  109.50000
   46    48    50    35.00000  109.50000
   46    48    51    80.00000  111.61500
   48    46    47    35.00000  112.50000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    37.50000  110.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   41    39    40    75.00000  124.36500
   43    41    42    35.00000  109.00000
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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  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    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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  -0.12500  1.0 1.0
   29    33    38    39  -0.12500 -1.0 2.0
   29    33    38    39   0.25000  1.0 3.0
   29    33    45    44   0.00000  1.0 1.0
   33    38    39    40   6.00000 -1.0 2.0
   33    38    39    41   0.32050  1.0 1.0
   33    38    39    41   8.28000 -1.0 2.0
   34    33    38    39  -0.12500  1.0 1.0
   34    33    38    39  -0.12500 -1.0 2.0
   34    33    38    39   0.25000  1.0 3.0
   34    33    45    44   0.00000  1.0 1.0
   38    33    45    44   0.00000  1.0 1.0
   38    39   -40    44   0.00050  1.0 1.0
   38    39   -40    44   2.00000 -1.0 2.0
   38    39    41    42   1.50000 -1.0 2.0
   38    39    41    43   1.50000 -1.0 2.0
   39    40    44    45   6.00000 -1.0 2.0
   39    40    44    46   6.00000 -1.0 2.0
   40    39    41    42   1.50000 -1.0 2.0
   40    39    41    43   1.50000 -1.0 2.0
   40    44   -45    33   0.00000  1.0 1.0
   40    44    46    47   1.50000 -1.0 2.0
   40    44    46    48  -0.86000  1.0 1.0
   40    44    46    48   0.84650 -1.0 2.0
   44    46    48    49   0.00000  1.0 1.0
   44    46    48    50   0.00000  1.0 1.0
   44    46    48    51   0.38950  1.0 1.0
   44    46    48    51  -0.47050 -1.0 2.0
   44    46    48    51   0.83150  1.0 3.0
   45    33   -38    39  -0.12500  1.0 1.0
   45    33   -38    39  -0.12500 -1.0 2.0
   45    33   -38    39   0.25000  1.0 3.0
   45    44    46    47   1.00000 -1.0 2.0
   45    44    46    48   1.00000 -1.0 2.0
   46    44    45    33   0.00000  1.0 1.0
   46    48    51    52   0.22950  1.0 3.0
   46    48    51    53   0.22950  1.0 3.0
   46    48    51    54   0.22950  1.0 3.0
   47    46    48    49   0.00000  1.0 1.0
   47    46    48    50   0.00000  1.0 1.0
   47    46    48    51   0.00000  1.0 1.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    54   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    53   0.15000  1.0 3.0
   50    48    51    54   0.15000  1.0 3.0
   41    39    40    44   0.00050  1.0 1.0
   41    39    40    44   2.00000 -1.0 2.0
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
   40    41    39    38  10.50000 -1.0 2.0
   45    46    44    40  10.50000 -1.0 2.0
   47    44    46    48   1.00000 -1.0 2.0
   43    39    41    42   1.00000 -1.0 2.0
END
