* LIGAND DATABASE FILE (OPLS2005)
*
001      54    54     95    135     268
    1     0 S   NP   _N1_     1    28.82771    96.31014   -23.52282
    2     1 S   H    _HN1     2     1.02948    71.55837     5.12560
    3     1 S   H    _H1_     3     1.02828    37.23518   167.08893
    4     1 S   H    _H2_     4     1.02793   109.28603   -98.48077
    5     1 S   CT   _CA1     5     1.50125   134.81546   105.91537
    6     5 S   HC   _HA1     6     1.09574   105.16687    93.79739
    7     5 S   CO3  _C1_     7     1.53773   112.44166   -26.40819
    8     7 S   O2Z  _O11     8     1.26375   115.00655   -43.03234
    9     7 S   O2Z  _O12     9     1.26236   114.94335   135.97613
   10     5 S   CT   _CB1    10     1.53062   107.40340  -148.24863
   11    10 S   HC   HB11    11     1.09839   109.33290   -49.49078
   12    10 S   HC   HB12    12     1.09810   110.47838    67.10473
   13    10 S   CT   _CG1    13     1.53013   112.63121  -170.43166
   14    13 S   HC   HG11    14     1.09573   110.70516   -66.97478
   15    13 S   HC   HG12    15     1.09670   109.71807    52.26887
   16    13 S   C    _CD1    16     1.51815   112.04062   172.73531
   17    16 S   O    _OE1    17     1.22755   123.19191    11.01169
   18    16 S   N    _N2_    18     1.38633   111.79418  -168.94844
   19    18 S   H    _HN2    19     1.01571   119.03566     1.03363
   20    18 S   CT1  _CA2    20     1.46246   123.44092   177.01417
   21    20 S   HC   _HA2    21     1.09740   109.24310     8.08153
   22    20 S   C    _C2_    22     1.53714   108.98359  -107.44598
   23    22 S   O    _O2_    23     1.23087   122.25842  -149.75210
   24    20 S   CT   _CB2    32     1.53420   111.57088   130.03071
   25    24 S   HC   HB21    33     1.09527   109.67364    56.99385
   26    24 S   HC   HB22    34     1.09433   109.68630   175.79602
   27    22 S   N    _N3_    24     1.38321   113.92233    37.80178
   28    27 S   H    _HN3    25     1.01534   119.60818    -3.24208
   29    24 S   S    _SG2    35     1.83408   111.12077   -64.39617
   30    27 S   CT   _CA3    26     1.45276   123.26913   177.18541
   31    30 S   HC   HA31    27     1.09547   107.51470   -64.84299
   32    30 S   HC   HA32    28     1.09556   107.99697    51.61421
   33    29 S   CT   _C9_    36     1.87056   101.42800   175.70422
   34    33 S   OM   _O33    37     1.31572   109.18223   -65.41882
   35    30 S   CO3  _C3_    29     1.52970   114.04884   173.62705
   36    35 S   O2Z  _O31    30     1.26383   116.08256    -0.03426
   37    35 S   O2Z  _O32    31     1.26425   114.41761  -179.98022
   38    33 S   C5A  _C8_    38     1.51336   110.14243    57.93781
   39    33 S   S    _S1_    50     1.87116   105.97760   177.04481
   40    38 S   C5BC _C7_    39     1.38829   132.72784  -121.49033
   41    40 S   HA   _H7_    40     1.08169   125.50960    -0.10468
   42    39 S   CT   _C10    51     1.81558   101.38299  -177.93199
   43    42 S   HC   _H9_    52     1.09373   108.47079  -178.28457
   44    42 S   HC   _H10    53     1.09249   111.11429    63.31735
   45    42 S   HC   _H11    54     1.09269   111.28798   -59.69702
   46    40 S   C5BC _C6_    41     1.41567   108.33909   179.79064
   47    46 S   HA   _H6_    42     1.08125   126.68500  -179.91153
   48    46 S   C5A  _C5_    43     1.37773   107.56344     0.00000
   49    38 S   NA   _N4_    44     1.38277   121.32076    58.34566
   50    49 S   H    _H8_    45     1.01069   123.97859     0.07133
   51    48 S   CT   _C4_    46     1.48120   131.16337  -179.91607
   52    51 S   HC   _H3_    47     1.09471   110.59203   119.73227
   53    51 S   HC   _H4_    48     1.09471   110.60074  -120.07957
   54    51 S   HC   _H5_    49     1.09468   111.02912    -0.17017
  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   7   5   4   3
  13   5   2   1   1  10   6   7   4   3   2   1   1   8   3   6
   5   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    49    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    46    48    49    50    39    42    43    44    45  
   38    40    49    39    42  
   36    37  
   37  
    0  
   40    41    46    47    48    49    50    51    39    42  
   42    43    44    45    40    49  
   41    46    47    48    49    50    51  
   46    47    48    49  
   43    44    45  
   44    45  
   45  
    0  
   47    48    49    50    51    52    53    54  
   48    49    51  
   49    50    51    52    53    54  
   50    51    52    53    54  
   51  
   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   4.2000   0.3000   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   0.0700  -0.123000   2.0020   1.7750   0.001000000  -0.843144165
   39   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   40   3.5500   0.0700  -0.149000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.118000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0700  -0.149000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.118000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.163000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   50   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.025000   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   570.000  1.307
   33    38   295.000  1.489
   33    39   222.000  1.810
   38    40   546.000  1.367
   38    49   427.000  1.381
   40    41   367.000  1.080
   40    46   469.000  1.424
   46    47   367.000  1.080
   46    48   546.000  1.367
   48    49   427.000  1.381
   48    51   295.000  1.489
   49    50   434.000  1.010
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   39    42   222.000  1.810
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
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  114.68000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  118.28000
   33    38    40    50.00000  133.50000
   33    38    49    65.00000  122.56900
   33    39    42    62.00000   98.90000
   38    33    34    90.00000  106.80000
   38    40    41    35.00000  125.70000
   38    40    46    70.00000  107.30000
   38    49    48    70.00000  109.80000
   38    49    50    35.00000  120.00000
   40    46    47    35.00000  127.50000
   40    46    48    70.00000  107.30000
   46    40    41    35.00000  127.50000
   46    48    49    70.00000  107.70000
   46    48    51    50.00000  133.50000
   48    46    47    35.00000  125.70000
   48    49    50    35.00000  120.00000
   48    51    52    45.00000  110.47400
   48    51    53    45.00000  110.47400
   48    51    54    45.00000  110.47400
   49    38    40    70.00000  107.70000
   51    48    49    65.00000  122.56900
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   39    33    34    85.00000  114.68000
   39    33    38    80.00000  109.48900
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.08500  1.0 1.0
   24    29    33    39  -0.53150 -1.0 2.0
   24    29    33    39   0.48050  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    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    38    49   0.04300 -1.0 2.0
   29    33    39    42   0.08500  1.0 1.0
   29    33    39    42  -0.53150 -1.0 2.0
   29    33    39    42   0.48050  1.0 3.0
   33    38    40    41   3.62500 -1.0 2.0
   33    38    40    46   3.62500 -1.0 2.0
   33    38    49    48   3.62500 -1.0 2.0
   33    38    49    50   2.00000 -1.0 2.0
   33    39    42    43   0.32350  1.0 3.0
   33    39    42    44   0.32350  1.0 3.0
   33    39    42    45   0.32350  1.0 3.0
   34    33    38    40   0.64500  1.0 1.0
   34    33    38    40   0.14800 -1.0 2.0
   34    33    38    40   0.20650  1.0 3.0
   34    33    38    49   0.04300 -1.0 2.0
   34    33    39    42   0.13850  1.0 1.0
   34    33    39    42  -1.34450 -1.0 2.0
   34    33    39    42   0.57400  1.0 3.0
   38    33    39    42  -0.23050  1.0 1.0
   38    33    39    42   0.06200 -1.0 2.0
   38    33    39    42   0.47200  1.0 3.0
   38    40    46    47   3.62500 -1.0 2.0
   38    40   -46    48   3.62500 -1.0 2.0
   40    38   -49    48   3.62500 -1.0 2.0
   40    38    49    50   2.00000 -1.0 2.0
   40    46   -48    49   3.62500 -1.0 2.0
   40    46    48    51   3.62500 -1.0 2.0
   41    40    46    47   3.62500 -1.0 2.0
   41    40    46    48   3.62500 -1.0 2.0
   46    48   -49    38   3.62500 -1.0 2.0
   46    48    49    50   2.00000 -1.0 2.0
   46    48    51    52   0.00000  1.0 1.0
   46    48    51    53   0.00000  1.0 1.0
   46    48    51    54   0.00000  1.0 1.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    51   3.62500 -1.0 2.0
   49    38    40    41   3.62500 -1.0 2.0
   49    38   -40    46   3.62500 -1.0 2.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    53   0.00000  1.0 1.0
   49    48    51    54   0.00000  1.0 1.0
   51    48    49    38   3.62500 -1.0 2.0
   51    48    49    50   2.00000 -1.0 2.0
   39    33    38    40  -0.16000  1.0 1.0
   39    33    38    40  -0.03200 -1.0 2.0
   39    33    38    40   0.04500  1.0 3.0
   39    33    38    49   0.04300 -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    49    38    33   4.00000 -1.0 2.0
   46    41    40    38   1.10000 -1.0 2.0
   48    47    46    40   1.10000 -1.0 2.0
   51    49    48    46   4.00000 -1.0 2.0
   50    38    49    48   1.00000 -1.0 2.0
END
