* LIGAND DATABASE FILE (OPLS2005)
*
001      55    55     99    154     297
    1     0 S   NP   _N1_     1    30.42781    90.80307   -18.83094
    2     1 S   H    _HN1     2     1.03206   124.32391   101.43320
    3     1 S   H    _H1_     3     1.02706    26.29095    45.29568
    4     1 S   H    _H2_     4     1.03053   115.79346   -33.87706
    5     1 S   CT   _CA1     5     1.50271    85.93160  -146.36362
    6     5 S   HC   _HA1     6     1.09559   105.37391    54.68480
    7     5 S   CO3  _C1_     7     1.53619   112.98857   -65.98877
    8     7 S   O2Z  _O11     8     1.26330   115.25044   -43.80113
    9     7 S   O2Z  _O12     9     1.26294   114.85931   135.56465
   10     5 S   CT   _CB1    10     1.52599   106.56683   172.32990
   11    10 S   HC   HB11    11     1.09724   108.81491   -54.15993
   12    10 S   HC   HB12    12     1.09790   109.82266    61.70331
   13    10 S   CT   _CG1    13     1.52882   114.57957  -175.01697
   14    13 S   HC   HG11    14     1.09521   111.47378   -70.48016
   15    13 S   HC   HG12    15     1.09546   110.98669    49.93163
   16    13 S   C    _CD1    16     1.51457   108.44508   168.98479
   17    16 S   O    _OE1    17     1.22829   122.02305  -105.33188
   18    16 S   N    _N2_    18     1.38375   112.65330    71.65013
   19    18 S   H    _HN2    19     1.01577   119.33791     9.61464
   20    18 S   CT1  _CA2    20     1.45358   122.60129  -169.68367
   21    20 S   HC   _HA2    21     1.09609   108.30501    30.39491
   22    20 S   C    _C2_    22     1.52921   108.03721   -86.77592
   23    22 S   O    _O2_    23     1.22928   122.97285   -26.99392
   24    20 S   CT   _CB2    32     1.53221   112.28613   152.94755
   25    24 S   HC   HB21    33     1.09729   109.23011    67.52310
   26    24 S   HC   HB22    34     1.09497   110.82702  -176.81715
   27    22 S   N    _N3_    24     1.38654   112.29834   155.95535
   28    27 S   H    _HN3    25     1.01483   119.78520     0.84395
   29    24 S   S    _SG2    35     1.83385   116.47007   -51.66939
   30    27 S   CT   _CA3    26     1.45445   122.79486   175.06859
   31    30 S   HC   HA31    27     1.09540   108.93517    30.66385
   32    30 S   HC   HA32    28     1.09478   107.16731   147.82683
   33    29 S   CT   _C6_    36     1.85232   103.21474   -51.22583
   34    33 S   HC   _H4_    37     1.09558   106.59494    61.00257
   35    30 S   CO3  _C3_    29     1.53076   113.64834   -92.27555
   36    35 S   O2Z  _O31    30     1.26373   115.86479   -28.93646
   37    35 S   O2Z  _O32    31     1.26417   114.63908   151.90716
   38    33 S   CT   _C5_    38     1.55568   107.55775   177.52456
   39    38 S   HC   _H3_    39     1.10017   110.19936    34.87218
   40    38 S   CT   _C4_    40     1.53188   112.43019   153.69624
   41    40 S   HC   _H7_    41     1.09620   110.11163  -179.52853
   42    40 S   HC   _H8_    42     1.09567   112.04280    60.12816
   43    38 S   CO3  _C10    53     1.54132   110.62559   -84.66409
   44    43 S   O2Z  _O37    54     1.26325   116.43532   -80.19877
   45    43 S   O2Z  _O36    55     1.26461   114.97395    99.71368
   46    40 S   CO4  _C9_    43     1.51315   110.19074   -59.99952
   47    46 S   O    _O33    44     1.23091   121.39070  -153.29058
   48    46 S   CT   _C8_    45     1.52125   116.64107    27.86842
   49    48 S   HC   _H6_    46     1.09561   108.20741   -90.52224
   50    33 S   CT   _C7_    47     1.54572   111.66893   -59.01568
   51    50 S   HC   _H5_    48     1.09304   112.94704    31.92259
   52    48 S   OH   _O34    51     1.41746   110.16593   151.71186
   53    52 S   HO   _H9_    52     0.97301   107.28764    56.37418
   54    50 S   OH   _O35    49     1.43629   108.72408   147.58507
   55    54 S   HO   _H10    50     0.97248   107.75239   -61.21714
  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
  17   8   2   1   1  13   8  11   5   4   4   1   1   8   4   7
   5   5   3   2   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    50    51    54    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    46    48    49    50    51    54    55    52    43    44    45  
   38    39    40    48    50    51    54    43  
   36    37  
   37  
    0  
   39    40    41    42    46    47    48    50    51    54    43    44    45  
   40    41    42    46    50    43    44    45  
   41    42    46    47    48    49    50    52    43    44    45  
   42    46    47    48    43  
   46    47    48    43  
   44    45    46    50  
   45  
    0  
   47    48    49    50    51    54    52    53  
   48    49    50    52  
   49    50    51    54    55    52    53  
   50    51    54    52    53  
   51    54    55    52    53  
   54    55    52  
   53    54  
    0  
   55  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   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    50   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    43   317.000  1.522
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    46   317.000  1.522
   46    47   570.000  1.229
   46    48   317.000  1.522
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    52   320.000  1.410
   50    51   340.000  1.090
   50    54   320.000  1.410
   54    55   553.000  0.945
   52    53   553.000  0.945
   43    44   656.000  1.250
   43    45   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    50    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    43    70.00000  109.69300
   33    50    48    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    54    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    42    37.50000  110.70000
   38    40    46    63.00000  111.10000
   38    43    44    70.00000  117.00000
   38    43    45    70.00000  117.00000
   40    38    39    37.50000  110.70000
   40    46    47    80.00000  120.40000
   40    46    48    70.00000  116.00000
   42    40    41    33.00000  107.80000
   46    40    41    35.00000  109.50000
   46    40    42    35.00000  109.50000
   46    48    49    35.00000  109.50000
   46    48    50    63.00000  111.10000
   46    48    52    90.00000  109.61100
   48    46    47    80.00000  120.40000
   48    50    51    37.50000  110.70000
   48    50    54    50.00000  109.50000
   48    52    53    55.00000  108.50000
   50    33    34    37.50000  110.70000
   50    33    38    58.35000  112.70000
   50    48    49    37.50000  110.70000
   50    54    55    55.00000  108.50000
   54    50    51    35.00000  109.50000
   52    48    49    35.00000  109.50000
   52    48    50    50.00000  109.50000
   43    38    39    35.00000  109.50000
   43    38    40    70.00000  109.69300
   45    43    44    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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    50    48   0.44750  1.0 1.0
   29    33    50    48  -0.17800 -1.0 2.0
   29    33    50    48   0.20200  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    54   0.56750  1.0 1.0
   29    33    50    54  -0.07550 -1.0 2.0
   29    33    50    54   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    42   0.15000  1.0 3.0
   33    38    40    46  -0.95700  1.0 1.0
   33    38    40    46  -0.18200 -1.0 2.0
   33    38    40    46   0.29450  1.0 3.0
   33    38    43    44   0.41150 -1.0 2.0
   33    38    43    45   0.41150 -1.0 2.0
   33    50    54    55  -0.11600  1.0 1.0
   33    50    54    55  -0.09450 -1.0 2.0
   33    50    54    55   0.21250  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    43  -0.11250  1.0 3.0
   34    33    50    48   0.15000  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    54   0.23400  1.0 3.0
   38    33    50    48   0.56750  1.0 1.0
   38    33    50    48  -0.07550 -1.0 2.0
   38    33    50    48   0.20000  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    54   0.86500  1.0 1.0
   38    33    50    54  -0.17500 -1.0 2.0
   38    33    50    54   0.20800  1.0 3.0
   38    40    46    47   0.30150 -1.0 2.0
   38    40   -46    48   0.60050  1.0 1.0
   38    40   -46    48   0.05600 -1.0 2.0
   38    40   -46    48   0.26150  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    46  -0.11250  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    45   0.00000  1.0 1.0
   40    38    43    44   0.41150 -1.0 2.0
   40    38    43    45   0.41150 -1.0 2.0
   40    46    48    49   0.00000  1.0 1.0
   40    46    48    50   0.60050  1.0 1.0
   40    46    48    50   0.05600 -1.0 2.0
   40    46    48    50   0.26150  1.0 3.0
   40    46    48    52   0.55300  1.0 1.0
   40    46    48    52   1.25850 -1.0 2.0
   40    46    48    52  -0.23600  1.0 3.0
   41    40    46    47   0.00000  1.0 1.0
   41    40    46    48   0.00000  1.0 1.0
   42    40    46    47   0.00000  1.0 1.0
   42    40    46    48   0.00000  1.0 1.0
   46    48   -50    33  -0.95700  1.0 1.0
   46    48   -50    33  -0.18200 -1.0 2.0
   46    48   -50    33   0.29450  1.0 3.0
   46    48    50    51  -0.11250  1.0 3.0
   46    48    50    54  -0.09450  1.0 1.0
   46    48    50    54  -1.12950 -1.0 2.0
   46    48    50    54   0.54000  1.0 3.0
   46    48    52    53   0.91850  1.0 1.0
   46    48    52    53   0.57950  1.0 3.0
   47    46    48    49   0.00000  1.0 1.0
   47    46    48    50   0.30150 -1.0 2.0
   47    46    48    52   0.30150 -1.0 2.0
   48    50    54    55  -0.11600  1.0 1.0
   48    50    54    55  -0.09450 -1.0 2.0
   48    50    54    55   0.21250  1.0 3.0
   49    48    50    33   0.15000  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    54   0.23400  1.0 3.0
   49    48    52    53   0.19450  1.0 3.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40   0.56750  1.0 1.0
   50    33   -38    40  -0.07550 -1.0 2.0
   50    33   -38    40   0.20000  1.0 3.0
   50    33    38    43  -1.63150  1.0 1.0
   50    33    38    43  -0.43550 -1.0 2.0
   50    33    38    43   0.24500  1.0 3.0
   50    48    52    53  -0.11600  1.0 1.0
   50    48    52    53  -0.09450 -1.0 2.0
   50    48    52    53   0.21250  1.0 3.0
   51    50    54    55   0.19450  1.0 3.0
   52    48    50    33   0.86500  1.0 1.0
   52    48    50    33  -0.17500 -1.0 2.0
   52    48    50    33   0.20800  1.0 3.0
   52    48    50    51   0.23400  1.0 3.0
   52    48    50    54   3.75450  1.0 1.0
   43    38    40    41  -0.11250  1.0 3.0
   43    38    40    42  -0.11250  1.0 3.0
   43    38    40    46  -0.30950  1.0 1.0
   43    38    40    46   1.11150 -1.0 2.0
   43    38    40    46   0.40350  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
   40    48    46    47  10.50000 -1.0 2.0
   44    38    43    45  10.50000 -1.0 2.0
END
