* LIGAND DATABASE FILE (OPLS2005)
*
001      54    54     92    142     271
    1     0 S   NP   _N1_     1    30.49787    98.90173   -24.08685
    2     1 S   H    _HN1     2     1.02855    57.34945   -53.63091
    3     1 S   H    _H1_     3     1.02755    62.54487   169.35181
    4     1 S   H    _H2_     4     1.03477   153.38647  -116.76122
    5     1 S   CT   _CA1     5     1.50094    94.83913    58.11660
    6     5 S   HC   _HA1     6     1.09546   104.88015   121.86751
    7     5 S   CO3  _C1_     7     1.53658   113.31647     1.25320
    8     7 S   O2Z  _O11     8     1.26399   115.08677   -32.68111
    9     7 S   O2Z  _O12     9     1.26236   115.03631   146.67688
   10     5 S   CT   _CB1    10     1.53012   107.42671  -119.68538
   11    10 S   HC   HB11    11     1.09544   109.46024   -39.67667
   12    10 S   HC   HB12    12     1.09838   110.44350    75.91371
   13    10 S   CT   _CG1    13     1.53235   112.99809  -162.23833
   14    13 S   HC   HG11    14     1.09548   110.90388   -94.52975
   15    13 S   HC   HG12    15     1.09606   111.57214    24.75481
   16    13 S   C    _CD1    16     1.51545   109.29800   145.46694
   17    16 S   O    _OE1    17     1.22810   121.82486    85.57012
   18    16 S   N    _N2_    18     1.38563   112.53125   -91.03024
   19    18 S   H    _HN2    19     1.01598   119.18589    -5.17778
   20    18 S   CT1  _CA2    20     1.46180   123.58401   173.28154
   21    20 S   HC   _HA2    21     1.09710   109.23600    -7.72875
   22    20 S   C    _C2_    22     1.53855   109.16512  -123.56883
   23    22 S   O    _O2_    23     1.23097   121.97740  -158.59297
   24    20 S   CT   _CB2    32     1.53498   111.63470   114.61971
   25    24 S   HC   HB21    33     1.09443   109.07127    56.71809
   26    24 S   HC   HB22    34     1.09440   109.94566   175.30477
   27    22 S   N    _N3_    24     1.38301   114.17613    27.95622
   28    27 S   H    _HN3    25     1.01430   119.10543    -2.27744
   29    24 S   S    _SG2    35     1.82995   111.62844   -64.61936
   30    27 S   CT   _CA3    26     1.45323   123.43026   178.21250
   31    30 S   HC   HA31    27     1.09552   107.24755   -69.05624
   32    30 S   HC   HA32    28     1.09557   108.16790    47.28420
   33    29 S   CT   _C6_    36     1.84726   101.59545   176.18407
   34    33 S   HC   _H3_    37     1.09651   106.63839  -176.63367
   35    30 S   CO3  _C3_    29     1.53047   114.39717   169.36072
   36    35 S   O2Z  _O31    30     1.26432   116.35215    -5.61555
   37    35 S   O2Z  _O32    31     1.26409   114.43862   174.48520
   38    33 S   CM   _C7_    38     1.52262   109.85031   -60.29224
   39    38 S   CM   _C8_    39     1.46051   119.57506   113.26821
   40    38 S   CMA  _C10    52     1.51536   120.00735   -73.28826
   41    40 S   OM   _O37    53     1.26342   120.58350   119.75124
   42    40 S   OM   _O36    54     1.26210   120.65702   -60.90041
   43    39 S   CM   _C9_    40     1.34571   119.85200     7.25796
   44    39 S   OH   _O35    50     1.38163   117.49030  -172.90804
   45    44 S   HO   _H5_    51     0.97546   108.04055     6.65154
   46    43 S   CM   _C4_    41     1.44619   123.73698     1.69708
   47    46 S   HC   _H4_    42     1.08553   118.04780   172.92934
   48    43 S   NO2  _N4_    47     1.44749   117.49742  -179.92338
   49    48 S   ON   _O34    48     1.23853   116.82189  -120.98923
   50    48 S   ON   _O33    49     1.23855   117.68064    60.98677
   51    33 S   CM   _C5_    43     1.50957   111.00972    65.10123
   52    51 S   NO2  _N5_    44     1.45750   118.04951    67.64093
   53    52 S   ON   _O39    45     1.23921   118.13032  -158.18072
   54    52 S   ON   _O38    46     1.23779   117.45597    21.66350
  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   8   5   4   3
  14   6   2   1   1  11  12   5   1   1   9   3   1   8   3   3
   1   1   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    46    51    52    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    46    47    51    52    53    54    44    40    41    42  
   38    39    46    51    52    40  
   36    37  
   37  
    0  
   39    43    46    51    52    48    44    45    40    41    42  
   43    46    47    51    48    49    50    44    45    40    41    42  
   41    42    43    44    51  
   42  
    0  
   46    47    51    52    48    49    50    44    45  
   45    46    48  
    0  
   47    51    52    53    54    48    49    50  
   51    52    48  
   49    50    51  
   50  
    0  
   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  -0.335000   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.5500   0.0760   0.290900   2.0020   1.7750   0.023028004  -0.852763146
   44   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.2500   0.1200   0.449100   1.8650   1.6500   0.020864068  -0.347800883
   49   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   50   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   51   3.5500   0.0760   0.290900   2.0020   1.7750   0.023028004  -0.852763146
   52   3.2500   0.1200   0.449100   1.8650   1.6500   0.020864068  -0.347800883
   53   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   54   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
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    51   317.000  1.510
   38    39   380.000  1.444
   38    40   465.000  1.376
   39    43   549.000  1.340
   39    44   510.000  1.338
   43    46   380.000  1.444
   43    48   325.000  1.425
   46    47   340.000  1.080
   46    51   549.000  1.340
   51    52   325.000  1.425
   52    53   550.000  1.225
   52    54   550.000  1.225
   48    49   550.000  1.225
   48    50   550.000  1.225
   44    45   553.000  0.945
   40    41   745.000  1.250
   40    42   745.000  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  112.20000
   29    33    51    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    40    70.00000  124.00000
   33    51    46    70.00000  124.00000
   33    51    52    70.00000  113.98000
   38    33    34    35.00000  109.50000
   38    39    43    70.00000  123.01800
   38    39    44    80.00000  121.38400
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  137.10300
   39    43    46    70.00000  123.01800
   39    43    48    70.00000  118.30600
   39    44    45    70.00000  107.45700
   43    46    47    35.00000  120.00000
   43    46    51    70.00000  123.01800
   43    48    49    90.00000  119.02900
   43    48    50    90.00000  119.02900
   46    51    52    70.00000  118.30600
   51    33    34    35.00000  109.50000
   51    33    38    70.00000  110.12100
   51    46    47    35.00000  120.00000
   51    52    53    90.00000  119.02900
   51    52    54    90.00000  119.02900
   54    52    53    80.00000  125.30000
   48    43    46    70.00000  118.30600
   50    48    49    80.00000  125.30000
   44    39    43    80.00000  121.38400
   40    38    39    70.00000  117.34000
   42    40    41    65.00000  121.00000
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  -0.62250  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    51  -0.62250  1.0 1.0
   24    29    33    51  -0.38450 -1.0 2.0
   24    29    33    51   0.81900  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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   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    51    46   0.42700  1.0 1.0
   29    33    51    46  -0.70350 -1.0 2.0
   29    33    51    46  -0.43150  1.0 3.0
   29    33    51    52   0.09700  1.0 1.0
   29    33    51    52   0.15600 -1.0 2.0
   29    33    51    52  -0.50800  1.0 3.0
   33    38    39    43  -0.18600  1.0 3.0
   33    38    39    44   1.08500 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    51    52    53   0.01550  1.0 1.0
   33    51    52    53   0.69950 -1.0 2.0
   33    51    52    53   0.02600  1.0 3.0
   33    51    52    54   0.01550  1.0 1.0
   33    51    52    54   0.69950 -1.0 2.0
   33    51    52    54   0.02600  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    51    46   0.00000  1.0 1.0
   34    33    51    52   0.00000  1.0 1.0
   38    33    51    46  -0.28300  1.0 1.0
   38    33    51    46   0.26700 -1.0 2.0
   38    33    51    46  -0.63300  1.0 3.0
   38    33    51    52   0.09700  1.0 1.0
   38    33    51    52   0.15600 -1.0 2.0
   38    33    51    52  -0.50800  1.0 3.0
   38    39   -43    46   7.00000 -1.0 2.0
   38    39    43    48   7.00000 -1.0 2.0
   38    39    44    45  -0.66100  1.0 1.0
   38    39    44    45   1.20850 -1.0 2.0
   38    39    44    45  -0.36000  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   39    43    46    47  -0.18600  1.0 3.0
   39    43    46    51   0.28850  1.0 1.0
   39    43    46    51   2.61350 -1.0 2.0
   39    43    46    51   0.78400  1.0 3.0
   39    43    48    49   0.65450 -1.0 2.0
   39    43    48    50   0.65450 -1.0 2.0
   43    39    44    45  -0.66100  1.0 1.0
   43    39    44    45   1.20850 -1.0 2.0
   43    39    44    45  -0.36000  1.0 3.0
   43    46   -51    33   7.00000 -1.0 2.0
   43    46    51    52   7.00000 -1.0 2.0
   46    43    48    49   0.65450 -1.0 2.0
   46    43    48    50   0.65450 -1.0 2.0
   46    51    52    53   0.65450 -1.0 2.0
   46    51    52    54   0.65450 -1.0 2.0
   47    46    51    33   7.00000 -1.0 2.0
   47    46    51    52   7.00000 -1.0 2.0
   51    33   -38    39  -0.28300  1.0 1.0
   51    33   -38    39   0.26700 -1.0 2.0
   51    33   -38    39  -0.63300  1.0 3.0
   51    33    38    40  -0.28300  1.0 1.0
   51    33    38    40   0.26700 -1.0 2.0
   51    33    38    40  -0.63300  1.0 3.0
   48    43    46    47   0.00000  1.0 1.0
   48    43    46    51  -0.18600  1.0 3.0
   44    39    43    46   7.00000 -1.0 2.0
   44    39    43    48   7.00000 -1.0 2.0
   40    38    39    43   0.28850  1.0 1.0
   40    38    39    43   2.61350 -1.0 2.0
   40    38    39    43   0.78400  1.0 3.0
   40    38    39    44   0.50950  1.0 1.0
   40    38    39    44   0.56650 -1.0 2.0
   40    38    39    44   0.34050  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
   33    39    38    40   1.10000 -1.0 2.0
   38    44    39    43   1.10000 -1.0 2.0
   46    48    43    39   1.10000 -1.0 2.0
   43    47    46    51   1.10000 -1.0 2.0
   33    52    51    46   1.10000 -1.0 2.0
   53    51    52    54  10.50000 -1.0 2.0
   49    43    48    50  10.50000 -1.0 2.0
   41    42    40    38   1.10000 -1.0 2.0
END
