* LIGAND DATABASE FILE (OPLS2005)
*
001      52    52     95    141     276
    1     0 S   NP   _N1_     1    29.03235    96.23132   -23.21833
    2     1 S   H    _HN1     2     1.02821    34.28904   152.92908
    3     1 S   H    _H1_     3     1.02799   109.92092  -114.31931
    4     1 S   H    _H2_     4     1.02938    74.37319   -10.08052
    5     1 S   CT   _CA1     5     1.50154   133.03047    93.54091
    6     5 S   HC   _HA1     6     1.09576   105.15190    90.79325
    7     5 S   CO3  _C1_     7     1.53815   112.04985   -29.34843
    8     7 S   O2Z  _O11     8     1.26389   115.03355   -50.76224
    9     7 S   O2Z  _O12     9     1.26211   114.93195   127.74346
   10     5 S   CT   _CB1    10     1.53028   107.30560  -151.39543
   11    10 S   HC   HB11    11     1.09852   109.51316   -48.59568
   12    10 S   HC   HB12    12     1.09800   110.49093    68.01227
   13    10 S   CT   _CG1    13     1.53011   112.53354  -169.37740
   14    13 S   HC   HG11    14     1.09533   110.78830   -65.93773
   15    13 S   HC   HG12    15     1.09642   109.64809    53.26214
   16    13 S   C    _CD1    16     1.51820   111.48196   174.14753
   17    16 S   O    _OE1    17     1.22813   122.94549    21.39704
   18    16 S   N    _N2_    18     1.38545   112.24909  -159.17088
   19    18 S   H    _HN2    19     1.01785   118.87553     0.72036
   20    18 S   CT1  _CA2    20     1.46242   123.35550   177.79158
   21    20 S   HC   _HA2    21     1.09735   109.25283     8.49868
   22    20 S   C    _C2_    22     1.53598   109.05094  -107.17293
   23    22 S   O    _O2_    23     1.23094   122.13341  -148.23803
   24    20 S   CT   _CB2    32     1.53350   111.46154   130.28131
   25    24 S   HC   HB21    33     1.09350   109.65383    60.04003
   26    24 S   HC   HB22    34     1.09528   110.56247   177.89699
   27    22 S   N    _N3_    24     1.38305   113.91678    39.36679
   28    27 S   H    _HN3    25     1.01549   119.64547    -3.77066
   29    24 S   S    _SG2    35     1.82939   111.35489   -63.08381
   30    27 S   CT   _CA3    26     1.45283   123.21979   177.00552
   31    30 S   HC   HA31    27     1.09552   107.56817   -62.68007
   32    30 S   HC   HA32    28     1.09556   107.90211    53.72959
   33    29 S   CT   _C8_    36     1.83482   100.46763   141.72389
   34    33 S   HC   _H3_    37     1.09898   105.70912    58.18644
   35    30 S   CO3  _C3_    29     1.52974   114.12669   175.66230
   36    35 S   O2Z  _O31    30     1.26377   116.11644    -1.15893
   37    35 S   O2Z  _O32    31     1.26437   114.40659   178.88075
   38    33 S   CT   _C6_    38     1.53191   114.73252   -60.85429
   39    38 S   HC   _H13    39     1.09617   109.65779    88.68573
   40    38 S   S    _S10    40     1.83349   105.24491  -156.53650
   41    38 S   CO3  _C4_    50     1.53831   121.88781   -40.02198
   42    41 S   O2Z  _O7_    51     1.26537   114.42973   133.70570
   43    41 S   O2Z  _O8_    52     1.26369   116.47291   -44.49111
   44    40 S   CT   _C5_    41     1.81493    95.93662     6.91339
   45    44 S   HC   _H11    42     1.09484   107.93291  -100.44207
   46    44 S   HC   _H12    43     1.09399   110.84533   141.06685
   47    33 S   CT   _C7_    44     1.53747   111.90205   174.24463
   48    47 S   HC   _H14    45     1.09552   112.00520   -65.85760
   49    47 S   NP   _N6_    46     1.48878   112.20032    52.75645
   50    49 S   H    _H16    47     1.03420   111.59504    56.03098
   51    49 S   H    _H17    48     1.02898   110.75068   -61.76241
   52    49 S   H    _H18    49     1.02753   112.63050   177.41730
  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
  16   8   2   1   1  11   6   9   4   1   1   8   4   3   5   4
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    47    48    49    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    46    47    48    49    50    51    52    41    42    43  
   38    39    40    44    47    48    49    41  
   36    37  
   37  
    0  
   39    40    44    45    46    47    48    49    41    42    43  
   40    44    47    41    42    43  
   44    45    46    47    48    49    41    42    43  
   42    43    44    47  
   43  
    0  
   45    46    47    48    49    50    51    52  
   46    47    48    49  
   47    48    49  
   48    49    50    51    52  
   49    50    51    52  
   50    51    52  
   51    52  
   52  
    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   1.6450   1.4500   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   0.007500   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   41   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   50   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   51   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   52   0.5000   0.0300   0.330000   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    47   268.000  1.529
   38    39   340.000  1.090
   38    40   222.000  1.810
   38    41   317.000  1.522
   40    44   222.000  1.810
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   367.000  1.471
   49    50   434.000  1.010
   49    51   434.000  1.010
   49    52   434.000  1.010
   41    42   656.000  1.250
   41    43   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    47    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    75.00000  111.63000
   33    38    41    70.00000  109.69300
   33    47    44    58.35000  112.70000
   33    47    48    37.50000  110.70000
   33    47    49    80.00000  111.20000
   38    33    34    37.50000  110.70000
   38    40    44    62.00000   98.90000
   38    41    42    70.00000  117.00000
   38    41    43    70.00000  117.00000
   40    38    39    35.00000  109.50000
   40    44    45    35.00000  109.50000
   40    44    46    35.00000  109.50000
   40    44    47    75.00000  111.63000
   44    47    48    37.50000  110.70000
   44    47    49    80.00000  111.20000
   46    44    45    33.00000  107.80000
   47    33    34    37.50000  110.70000
   47    33    38    58.35000  112.70000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    49    50    35.00000  109.50000
   47    49    51    35.00000  109.50000
   47    49    52    35.00000  109.50000
   49    47    48    35.00000  109.50000
   51    49    50    35.00000  109.50000
   52    49    50    35.00000  109.50000
   52    49    51    35.00000  109.50000
   41    38    39    35.00000  109.50000
   41    38    40    70.00000  116.78000
   43    41    42    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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    47    44   0.44750  1.0 1.0
   29    33    47    44  -0.17800 -1.0 2.0
   29    33    47    44   0.20200  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    49   0.56750  1.0 1.0
   29    33    47    49  -0.07550 -1.0 2.0
   29    33    47    49   0.20000  1.0 3.0
   33    38   -40    44   0.01700  1.0 1.0
   33    38   -40    44  -0.23550 -1.0 2.0
   33    38   -40    44   0.21350  1.0 3.0
   33    38    41    42   0.41150 -1.0 2.0
   33    38    41    43   0.41150 -1.0 2.0
   33    47    49    50   0.17350  1.0 3.0
   33    47    49    51   0.17350  1.0 3.0
   33    47    49    52   0.17350  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    41  -0.11250  1.0 3.0
   34    33    47    44   0.15000  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    49   0.19200  1.0 3.0
   38    33   -47    44   0.56750  1.0 1.0
   38    33   -47    44  -0.07550 -1.0 2.0
   38    33   -47    44   0.20000  1.0 3.0
   38    33    47    48   0.15000  1.0 3.0
   38    33    47    49   1.36600  1.0 1.0
   38    33    47    49  -0.11450 -1.0 2.0
   38    33    47    49   0.24250  1.0 3.0
   38    40    44    45   0.32350  1.0 3.0
   38    40    44    46   0.32350  1.0 3.0
   38    40   -44    47   0.01700  1.0 1.0
   38    40   -44    47  -0.23550 -1.0 2.0
   38    40   -44    47   0.21350  1.0 3.0
   39    38    40    44   0.32350  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.30150 -1.0 2.0
   40    38    41    43   0.30150 -1.0 2.0
   40    44   -47    33   0.44750  1.0 1.0
   40    44   -47    33  -0.17800 -1.0 2.0
   40    44   -47    33   0.20200  1.0 3.0
   40    44    47    48   0.15000  1.0 3.0
   40    44    47    49   0.56750  1.0 1.0
   40    44    47    49  -0.07550 -1.0 2.0
   40    44    47    49   0.20000  1.0 3.0
   44    47    49    50   0.17350  1.0 3.0
   44    47    49    51   0.17350  1.0 3.0
   44    47    49    52   0.17350  1.0 3.0
   45    44    47    33   0.15000  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.19200  1.0 3.0
   46    44    47    33   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.19200  1.0 3.0
   47    33    38    39   0.15000  1.0 3.0
   47    33   -38    40   0.44750  1.0 1.0
   47    33   -38    40  -0.17800 -1.0 2.0
   47    33   -38    40   0.20200  1.0 3.0
   47    33    38    41  -1.63150  1.0 1.0
   47    33    38    41  -0.43550 -1.0 2.0
   47    33    38    41   0.24500  1.0 3.0
   48    47    49    50   0.13050  1.0 3.0
   48    47    49    51   0.13050  1.0 3.0
   48    47    49    52   0.13050  1.0 3.0
   41    38    40    44   0.01700  1.0 1.0
   41    38    40    44  -0.23550 -1.0 2.0
   41    38    40    44   0.21350  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
   42    38    41    43  10.50000 -1.0 2.0
END
