* LIGAND DATABASE FILE (OPLS2005)
*
001      57    59    108    176     308
    1     0 S   NP   _N1_     1    28.81017    96.16920   -23.91971
    2     1 S   H    _HN1     2     1.02792   110.49687   -97.40595
    3     1 S   H    _H1_     3     1.02948    73.16101     6.38165
    4     1 S   H    _H2_     4     1.02828    35.22130   170.36328
    5     1 S   CT   _CA1     5     1.50117   132.88312   108.88107
    6     5 S   HC   _HA1     6     1.09574   105.17523    92.08823
    7     5 S   CO3  _C1_     7     1.53768   112.45670   -28.13983
    8     7 S   O2Z  _O11     8     1.26374   115.00905   -42.95769
    9     7 S   O2Z  _O12     9     1.26235   114.93564   136.09474
   10     5 S   CT   _CB1    10     1.53062   107.41063  -149.94394
   11    10 S   HC   HB11    11     1.09840   109.33533   -49.52178
   12    10 S   HC   HB12    12     1.09811   110.47167    67.06928
   13    10 S   CT   _CG1    13     1.53018   112.63898  -170.46688
   14    13 S   HC   HG11    14     1.09572   110.71162   -66.87157
   15    13 S   HC   HG12    15     1.09669   109.72327    52.38518
   16    13 S   C    _CD1    16     1.51807   112.02884   172.85389
   17    16 S   O    _OE1    17     1.22751   123.19141    10.99594
   18    16 S   N    _N2_    18     1.38651   111.81615  -169.05137
   19    18 S   H    _HN2    19     1.01577   118.98979     1.19091
   20    18 S   CT1  _CA2    20     1.46212   123.34126   176.73697
   21    20 S   HC   _HA2    21     1.09741   109.28707     6.24843
   22    20 S   C    _C2_    22     1.53634   108.78596  -109.24562
   23    22 S   O    _O2_    23     1.23076   122.24810  -148.45174
   24    20 S   CT   _CB2    32     1.53323   111.68666   128.21349
   25    24 S   HC   HB21    33     1.09545   110.08400    57.15317
   26    24 S   HC   HB22    34     1.09526   110.04808   176.18325
   27    22 S   N    _N3_    24     1.38315   113.82239    39.01650
   28    27 S   H    _HN3    25     1.01555   119.61113    -3.16793
   29    24 S   S    _SG2    35     1.82690   111.50773   -64.01972
   30    27 S   CT   _CA3    26     1.45287   123.27815   177.19334
   31    30 S   HC   HA31    27     1.09547   107.50106   -65.00484
   32    30 S   HC   HA32    28     1.09555   108.00884    51.45415
   33    29 S   CT   _C11    36     1.81668    99.52995  -175.08538
   34    33 S   HC   _H3_    37     1.09389   110.28023    46.46024
   35    30 S   CO3  _C3_    29     1.52975   114.04028   173.45581
   36    35 S   O2Z  _O31    30     1.26383   116.07053    -0.72091
   37    35 S   O2Z  _O32    31     1.26424   114.41992   179.34449
   38    33 S   CM   _C6_    38     1.48652   109.26519   -77.53146
   39    38 S   HC   _H18    39     1.08294   123.06229    76.21915
   40    38 S   CMA  _C7_    40     1.34466   112.84839  -104.36326
   41    40 S   OM   _O33    41     1.26135   127.15043   179.40719
   42    40 S   OS   _O13    42     1.42213   109.58567     0.59314
   43    33 S   C4T  _C13    43     1.52729   113.38666   172.90079
   44    43 S   C4T  _C10    44     1.57555   113.00694  -144.68748
   45    44 S   HC   _H21    45     1.09660   114.84197    34.04600
   46    44 S   HC   _H22    46     1.09386   116.21444   -94.12160
   47    43 S   C4T  _C12    50     1.57891   122.41111   -45.30055
   48    44 S   C4T  _C9_    47     1.53878    87.79499   149.13424
   49    48 S   HC   _H19    48     1.09675   113.89462    90.14826
   50    48 S   HC   _H20    49     1.09398   114.73801  -143.86140
   51    47 S   CM   _C5_    51     1.46888   116.70047   103.07315
   52    51 S   HC   _H17    52     1.08031   125.79114    46.55338
   53    51 S   CM   _C4_    53     1.33329   109.03520  -133.48318
   54    53 S   HC   _H16    54     1.07654   127.44003  -180.00000
   55    53 S   CO4  _C8_    55     1.47399   108.56881     0.33804
   56    55 S   O    _O34    56     1.21781   125.48919  -179.58410
   57    47 S   OS   _O14    57     1.44845   117.23502   -23.93816
  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
  14   7   2   1   1   7   4   5   2   8  12   8   5   4  10   7
   3   2   6   4   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    43    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    43    44    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46    48    47    51    57  
   38    39    40    42    43    44    47  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47  
   40    41    42    43  
   41    42    43    44    47  
   42    43  
   43    44    45    46    48    47    51    57  
   44    45    46    48    49    50    47    51    52    53    55    57  
   45    46    48    49    50    47    51    57  
   46    48    49    50    47  
   48    49    50    47  
   51    52    53    54    55    56    57    48    49    50  
   49    50    51    52    53    55    57  
   50    51    57  
   51    57  
   52    53    54    55    56    57  
   53    54    55    57  
   54    55    56    57  
   55    56    57  
   56    57  
   57  
    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   0.166300   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.707500   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.163700   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.0000   0.1700  -0.302500   1.7660   1.5600   0.020110767  -0.896042159
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   317.000  1.510
   33    43   260.000  1.519
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   268.000  1.529
   43    47   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    47   268.000  1.529
   47    51   317.000  1.510
   47    57   320.000  1.410
   51    52   340.000  1.080
   51    53   549.000  1.340
   53    54   340.000  1.080
   53    55   320.000  1.462
   55    56   570.000  1.229
   55    57   214.000  1.327
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  112.20000
   29    33    43    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    43    42    50.00000  109.50000
   33    43    44    65.00000  119.52000
   33    43    47    65.00000  119.52000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    80.00000  120.01400
   40    38    39    40.00000  120.50800
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    50.00000  109.50000
   42    43    47    50.00000  109.50000
   43    33    34    45.00000  111.22300
   43    33    38    70.00000  112.02700
   43    44    45    37.50000  110.70000
   43    44    46    37.50000  110.70000
   43    44    48    63.00000   92.00000
   43    47    48    63.00000   92.00000
   43    47    51    70.00000  112.02700
   43    47    57    50.00000  109.50000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    47    63.00000   92.00000
   46    44    45    33.00000  107.80000
   48    44    45    37.50000  110.70000
   48    44    46    37.50000  110.70000
   48    47    51    70.00000  112.02700
   48    47    57    50.00000  109.50000
   50    48    49    33.00000  107.80000
   47    43    44    63.00000   92.00000
   47    48    49    37.50000  110.70000
   47    48    50    37.50000  110.70000
   47    51    52    35.00000  117.00000
   47    51    53    70.00000  124.00000
   47    57    55    83.00000  116.90000
   51    53    54    35.00000  120.00000
   51    53    55    65.00000  118.96000
   53    51    52    35.00000  120.00000
   53    55    56    80.00000  123.72100
   53    55    57    90.00000  111.29400
   55    53    54    40.00000  117.72500
   57    47    51    85.00000  110.90400
   57    55    56    83.00000  123.40000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    43    42   0.56750  1.0 1.0
   29    33    43    42  -0.07550 -1.0 2.0
   29    33    43    42   0.20000  1.0 3.0
   29    33    43    44   0.44750  1.0 1.0
   29    33    43    44  -0.17800 -1.0 2.0
   29    33    43    44   0.20200  1.0 3.0
   29    33    43    47   0.44750  1.0 1.0
   29    33    43    47  -0.17800 -1.0 2.0
   29    33    43    47   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38   -40    42   7.00000 -1.0 2.0
   33    43    44    45   0.15000  1.0 3.0
   33    43    44    46   0.15000  1.0 3.0
   33    43    44    48  -0.70950  1.0 1.0
   33    43    44    48   0.38400 -1.0 2.0
   33    43   -47    48  -0.70950  1.0 1.0
   33    43   -47    48   0.38400 -1.0 2.0
   33    43    47    51   0.34400  1.0 1.0
   33    43    47    51   0.09450 -1.0 2.0
   33    43    47    51   0.11100  1.0 3.0
   33    43    47    57   0.62750  1.0 1.0
   33    43    47    57  -0.30950 -1.0 2.0
   33    43    47    57   0.27300  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    43    42   0.23400  1.0 3.0
   34    33    43    44   0.00000  1.0 1.0
   34    33    43    47   0.00000  1.0 1.0
   38    33   -43    42   0.61850  1.0 1.0
   38    33   -43    42  -0.22750 -1.0 2.0
   38    33   -43    42   0.15300  1.0 3.0
   38    33    43    44   0.34400  1.0 1.0
   38    33    43    44   0.09450 -1.0 2.0
   38    33    43    44   0.11100  1.0 3.0
   38    33    43    47   0.34400  1.0 1.0
   38    33    43    47   0.09450 -1.0 2.0
   38    33    43    47   0.11100  1.0 3.0
   38    40   -42    43  -2.26850  1.0 1.0
   38    40   -42    43   3.39050 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42   -43    33  -0.46850  1.0 1.0
   40    42   -43    33   0.09300 -1.0 2.0
   40    42   -43    33  -0.12850  1.0 3.0
   40    42    43    44  -0.46850  1.0 1.0
   40    42    43    44   0.09300 -1.0 2.0
   40    42    43    44  -0.12850  1.0 3.0
   40    42    43    47  -0.46850  1.0 1.0
   40    42    43    47   0.09300 -1.0 2.0
   40    42    43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    44    45   0.15000  1.0 3.0
   42    43    44    46   0.15000  1.0 3.0
   42    43    44    48   0.62750  1.0 1.0
   42    43    44    48  -0.30950 -1.0 2.0
   42    43    44    48   0.27300  1.0 3.0
   42    43   -47    48   0.62750  1.0 1.0
   42    43   -47    48  -0.30950 -1.0 2.0
   42    43   -47    48   0.27300  1.0 3.0
   42    43    47    51   0.61850  1.0 1.0
   42    43    47    51  -0.22750 -1.0 2.0
   42    43    47    51   0.15300  1.0 3.0
   42    43    47    57   1.11900  1.0 1.0
   42    43    47    57  -1.16350 -1.0 2.0
   42    43    47    57  -0.34150  1.0 3.0
   43    33    38    39   0.00000  1.0 1.0
   43    33   -38    40   0.09850  1.0 1.0
   43    33   -38    40   0.15250 -1.0 2.0
   43    33   -38    40  -0.50650  1.0 3.0
   43    44    48    49   0.15000  1.0 3.0
   43    44    48    50   0.15000  1.0 3.0
   43    44   -48    47   0.00000  1.0 1.0
   43    47    51    52   0.00000  1.0 1.0
   43    47    51    53   0.09850  1.0 1.0
   43    47    51    53   0.15250 -1.0 2.0
   43    47    51    53  -0.50650  1.0 3.0
   43    47    57    55  -0.25900  1.0 1.0
   43    47    57    55  -0.47000 -1.0 2.0
   43    47    57    55   0.11750  1.0 3.0
   44    43   -47    48   0.00000  1.0 1.0
   44    43    47    51   0.34400  1.0 1.0
   44    43    47    51   0.09450 -1.0 2.0
   44    43    47    51   0.11100  1.0 3.0
   44    43    47    57   0.62750  1.0 1.0
   44    43    47    57  -0.30950 -1.0 2.0
   44    43    47    57   0.27300  1.0 3.0
   44    48   -47    43   0.00000  1.0 1.0
   44    48   -47    51   0.34400  1.0 1.0
   44    48   -47    51   0.09450 -1.0 2.0
   44    48   -47    51   0.11100  1.0 3.0
   44    48   -47    57   0.62750  1.0 1.0
   44    48   -47    57  -0.30950 -1.0 2.0
   44    48   -47    57   0.27300  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    50   0.15000  1.0 3.0
   45    44    48    47   0.15000  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    50   0.15000  1.0 3.0
   46    44    48    47   0.15000  1.0 3.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    53   0.09850  1.0 1.0
   48    47    51    53   0.15250 -1.0 2.0
   48    47    51    53  -0.50650  1.0 3.0
   48    47    57    55  -0.25900  1.0 1.0
   48    47    57    55  -0.47000 -1.0 2.0
   48    47    57    55   0.11750  1.0 3.0
   49    48   -47    43   0.15000  1.0 3.0
   49    48    47    51   0.15000  1.0 3.0
   49    48    47    57   0.15000  1.0 3.0
   50    48   -47    43   0.15000  1.0 3.0
   50    48    47    51   0.15000  1.0 3.0
   50    48    47    57   0.15000  1.0 3.0
   47    43   -44    45   0.15000  1.0 3.0
   47    43   -44    46   0.15000  1.0 3.0
   47    43   -44    48   0.00000  1.0 1.0
   47    51    53    54   7.00000 -1.0 2.0
   47    51   -53    55   7.00000 -1.0 2.0
   51    47   -57    55  -0.82050  1.0 1.0
   51    47   -57    55   0.00600 -1.0 2.0
   51    47   -57    55   0.04400  1.0 3.0
   51    53    55    56   1.00000 -1.0 2.0
   51    53   -55    57  -0.56150  1.0 1.0
   51    53   -55    57   2.19150 -1.0 2.0
   52    51    53    54   7.00000 -1.0 2.0
   52    51    53    55   7.00000 -1.0 2.0
   53    55   -57    47   2.00000 -1.0 2.0
   54    53    55    56   0.00000  1.0 1.0
   54    53    55    57   1.63100 -1.0 2.0
   56    55    57    47   3.00000 -1.0 2.0
   57    47    51    52   0.00000  1.0 1.0
   57    47   -51    53   0.39000  1.0 1.0
   57    47   -51    53  -0.05800 -1.0 2.0
   57    47   -51    53  -0.55150  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   41    42    40    38   1.10000 -1.0 2.0
   47    52    51    53   1.10000 -1.0 2.0
   55    54    53    51   1.10000 -1.0 2.0
   53    57    55    56  10.50000 -1.0 2.0
END
