* LIGAND DATABASE FILE (OPLS2005)
*
001      63    63    113    166     326
    1     0 S   NP   _N1_     1    28.80137    96.62235   -24.15371
    2     1 S   H    _HN1     2     1.02948    70.76381     7.44023
    3     1 S   H    _H1_     3     1.02827    37.20260   174.49192
    4     1 S   H    _H2_     4     1.02795   112.37688   -95.11192
    5     1 S   CT   _CA1     5     1.50130   132.02372   107.98114
    6     5 S   HC   _HA1     6     1.09575   105.15672    95.66266
    7     5 S   CO3  _C1_     7     1.53771   112.45432   -24.53657
    8     7 S   O2Z  _O11     8     1.26377   115.00654   -42.75761
    9     7 S   O2Z  _O12     9     1.26237   114.94244   136.22651
   10     5 S   CT   _CB1    10     1.53056   107.39925  -146.38075
   11    10 S   HC   HB11    11     1.09842   109.32745   -49.34947
   12    10 S   HC   HB12    12     1.09811   110.47974    67.24313
   13    10 S   CT   _CG1    13     1.53018   112.64110  -170.28256
   14    13 S   HC   HG11    14     1.09570   110.72628   -67.32266
   15    13 S   HC   HG12    15     1.09670   109.70525    51.92774
   16    13 S   C    _CD1    16     1.51813   111.98670   172.40462
   17    16 S   O    _OE1    17     1.22760   123.17391    12.12085
   18    16 S   N    _N2_    18     1.38633   111.83245  -167.85592
   19    18 S   H    _HN2    19     1.01575   119.04522     0.85203
   20    18 S   CT1  _CA2    20     1.46246   123.41603   176.87062
   21    20 S   HC   _HA2    21     1.09742   109.24384     8.36452
   22    20 S   C    _C2_    22     1.53712   108.97838  -107.17161
   23    22 S   O    _O2_    23     1.23091   122.22708  -149.66641
   24    20 S   CT   _CB2    32     1.53468   111.58274   130.33098
   25    24 S   HC   HB21    33     1.09495   109.62315    57.53257
   26    24 S   HC   HB22    34     1.09394   109.61086   176.25597
   27    22 S   N    _N3_    24     1.38311   113.93124    37.86736
   28    27 S   H    _HN3    25     1.01534   119.61105    -3.22901
   29    24 S   S    _SG2    35     1.83201   111.04387   -64.28286
   30    27 S   CT   _CA3    26     1.45275   123.29412   177.21048
   31    30 S   HC   HA31    27     1.09547   107.51244   -64.91063
   32    30 S   HC   HA32    28     1.09555   108.00165    51.55087
   33    29 S   CT   _C8_    36     1.86143   101.93605   168.50203
   34    33 S   OM   _O34    37     1.31301   109.68191   -64.85913
   35    30 S   CO3  _C3_    29     1.52976   114.03607   173.56349
   36    35 S   O2Z  _O31    30     1.26385   116.08679    -0.05595
   37    35 S   O2Z  _O32    31     1.26427   114.41388   179.97202
   38    33 S   CT   _C5_    38     1.54461   112.85410    62.29602
   39    38 S   HC   _H3_    39     1.09590   111.26952   -40.42342
   40    38 S   CO4  _C6_    40     1.52297   106.26274    76.54644
   41    40 S   O    _O33    41     1.23146   121.53495  -153.32363
   42    38 S   CT   _C4_    60     1.53859   117.01688  -163.43857
   43    42 S   HC   _H4_    61     1.09486   112.38998   -53.35167
   44    42 S   HC   _H5_    62     1.09618   110.50458  -172.82879
   45    42 S   HC   _H6_    63     1.09497   111.13215    68.18721
   46    40 S   CT   _C7_    42     1.53709   115.57271    29.72189
   47    33 S   S    _S1_    43     1.83284   107.31603   175.74274
   48    46 S   CM   _C10    44     1.51536   108.16682  -123.14662
   49    48 S   HC   _H10    45     1.09254   113.48351    -1.02374
   50    46 S   CT   _C9_    56     1.53026   107.59963   112.80094
   51    50 S   HC   _H7_    57     1.09346   113.17010  -170.58182
   52    50 S   HC   _H8_    58     1.09715   110.70962    69.11125
   53    50 S   HC   _H9_    59     1.09669   111.67913   -49.29350
   54    48 S   CM   _C11    46     1.35262   130.46019  -179.84677
   55    54 S   CM   _C13    47     1.46503   118.22259   178.70548
   56    55 S   HC   _H14    48     1.08930   116.48102     1.40695
   57    54 S   CT   _C12    52     1.50586   124.86161    -1.94531
   58    57 S   HC   _H11    53     1.09600   110.60701  -123.77174
   59    57 S   HC   _H12    54     1.09554   110.48442   115.81952
   60    57 S   HC   _H13    55     1.09000   113.77735    -4.63811
   61    55 S   CM   _C14    49     1.33941   127.00292  -178.40664
   62    61 S   HC   _H15    50     1.08552   119.91579   179.95154
   63    61 S   HC   _H16    51     1.08366   123.08722     0.05234
  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
  13   6   2   1   1  11   8  14   5   5   2   1   1  10   7  13
   4   4   2   1   1   9   8   4   4   2   1   1   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    46    47    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    46    47    48    50    42    43    44    45  
   38    39    40    46    47    42  
   36    37  
   37  
    0  
   39    40    41    46    47    48    50    42    43    44    45  
   40    41    46    47    42    43    44    45  
   41    46    47    48    49    54    50    51    52    53    42    43    44    45  
   46    47    48    50    42  
   43    44    45    46    47  
   44    45  
   45  
    0  
   47    48    49    54    55    57    50    51    52    53  
   48    49    54    50    51    52    53  
   49    54    55    56    61    57    58    59    60    50    51    52    53  
   54    55    57    50  
   51    52    53    54  
   52    53  
   53  
    0  
   55    56    61    62    63    57    58    59    60  
   56    61    62    63    57    58    59    60  
   61    62    63    57  
   58    59    60    61  
   59    60  
   60  
    0  
   62    63  
   63  
    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  -0.005000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   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   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   47   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0300   0.115000   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   268.000  1.529
   33    47   222.000  1.810
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   268.000  1.529
   40    41   570.000  1.229
   40    46   317.000  1.522
   46    47   222.000  1.810
   46    48   317.000  1.510
   46    50   268.000  1.529
   48    49   340.000  1.080
   48    54   549.000  1.340
   54    55   380.000  1.444
   54    57   317.000  1.510
   55    56   340.000  1.080
   55    61   549.000  1.340
   61    62   340.000  1.080
   61    63   340.000  1.080
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   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    75.00000  111.63000
   29    33    47    75.00000  118.28000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    58.35000  112.70000
   33    47    46    62.00000   98.90000
   38    33    34    50.00000  109.50000
   38    40    41    80.00000  120.40000
   38    40    46    70.00000  116.00000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    45    37.50000  110.70000
   40    38    39    35.00000  109.50000
   40    46    47    75.00000  110.18000
   40    46    48    70.00000  109.06800
   40    46    50    63.00000  111.10000
   46    40    41    80.00000  120.40000
   46    48    49    35.00000  117.00000
   46    48    54    70.00000  124.00000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    53    37.50000  110.70000
   47    33    34    85.00000  114.68000
   47    33    38    75.00000  111.63000
   48    46    47    75.00000  112.20000
   48    54    55    70.00000  123.01800
   48    54    57    70.00000  124.00000
   54    48    49    35.00000  120.00000
   54    55    56    35.00000  120.00000
   54    55    61    70.00000  123.01800
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    60    35.00000  109.50000
   55    61    62    35.00000  120.00000
   55    61    63    35.00000  120.00000
   61    55    56    35.00000  120.00000
   63    61    62    35.00000  117.00000
   57    54    55    70.00000  124.00000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   50    46    47    75.00000  111.63000
   50    46    48    70.00000  112.02700
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    63.00000  111.10000
   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   0.01700  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   0.08500  1.0 1.0
   24    29    33    47  -0.53150 -1.0 2.0
   24    29    33    47   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    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    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    47    46   0.08500  1.0 1.0
   29    33    47    46  -0.53150 -1.0 2.0
   29    33    47    46   0.48050  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38   -40    46   0.60050  1.0 1.0
   33    38   -40    46   0.05600 -1.0 2.0
   33    38   -40    46   0.26150  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    45   0.15000  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40  -0.09450  1.0 1.0
   34    33    38    40  -1.12950 -1.0 2.0
   34    33    38    40   0.54000  1.0 3.0
   34    33    38    42   0.62750  1.0 1.0
   34    33    38    42  -0.30950 -1.0 2.0
   34    33    38    42   0.27300  1.0 3.0
   34    33    47    46   0.13850  1.0 1.0
   34    33    47    46  -1.34450 -1.0 2.0
   34    33    47    46   0.57400  1.0 3.0
   38    33   -47    46   0.01700  1.0 1.0
   38    33   -47    46  -0.23550 -1.0 2.0
   38    33   -47    46   0.21350  1.0 3.0
   38    40   -46    47   0.65300  1.0 1.0
   38    40   -46    47  -0.03850 -1.0 2.0
   38    40   -46    47   0.33900  1.0 3.0
   38    40    46    48   0.65300  1.0 1.0
   38    40    46    48  -0.03850 -1.0 2.0
   38    40    46    48   0.33900  1.0 3.0
   38    40    46    50   0.60050  1.0 1.0
   38    40    46    50   0.05600 -1.0 2.0
   38    40    46    50   0.26150  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    46   0.00000  1.0 1.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    45   0.15000  1.0 3.0
   40    38    42    43  -0.11250  1.0 3.0
   40    38    42    44  -0.11250  1.0 3.0
   40    38    42    45  -0.11250  1.0 3.0
   40    46   -47    33   0.01700  1.0 1.0
   40    46   -47    33  -0.23550 -1.0 2.0
   40    46   -47    33   0.21350  1.0 3.0
   40    46    48    49   0.00000  1.0 1.0
   40    46    48    54  -0.51250  1.0 1.0
   40    46    48    54  -0.88800 -1.0 2.0
   40    46    48    54   0.08850  1.0 3.0
   40    46    50    51  -0.11250  1.0 3.0
   40    46    50    52  -0.11250  1.0 3.0
   40    46    50    53  -0.11250  1.0 3.0
   41    40    46    47   0.30150 -1.0 2.0
   41    40    46    48   0.30150 -1.0 2.0
   41    40    46    50   0.30150 -1.0 2.0
   46    48    54    55   7.00000 -1.0 2.0
   46    48    54    57   7.00000 -1.0 2.0
   47    33    38    39   0.15000  1.0 3.0
   47    33   -38    40   0.56750  1.0 1.0
   47    33   -38    40  -0.07550 -1.0 2.0
   47    33   -38    40   0.20000  1.0 3.0
   47    33    38    42   0.44750  1.0 1.0
   47    33    38    42  -0.17800 -1.0 2.0
   47    33    38    42   0.20200  1.0 3.0
   47    46    48    49   0.00000  1.0 1.0
   47    46    48    54   0.42700  1.0 1.0
   47    46    48    54  -0.70350 -1.0 2.0
   47    46    48    54  -0.43150  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    52   0.15000  1.0 3.0
   47    46    50    53   0.15000  1.0 3.0
   48    46    47    33  -0.62250  1.0 1.0
   48    46    47    33  -0.38450 -1.0 2.0
   48    46    47    33   0.81900  1.0 3.0
   48    46    50    51   0.15000  1.0 3.0
   48    46    50    52   0.15000  1.0 3.0
   48    46    50    53   0.15000  1.0 3.0
   48    54    55    56  -0.18600  1.0 3.0
   48    54    55    61   0.28850  1.0 1.0
   48    54    55    61   2.61350 -1.0 2.0
   48    54    55    61   0.78400  1.0 3.0
   48    54    57    58   0.00000  1.0 1.0
   48    54    57    59   0.00000  1.0 1.0
   48    54    57    60   0.00000  1.0 1.0
   49    48    54    55   7.00000 -1.0 2.0
   49    48    54    57   7.00000 -1.0 2.0
   54    55    61    62   7.00000 -1.0 2.0
   54    55    61    63   7.00000 -1.0 2.0
   55    54    57    58   0.00000  1.0 1.0
   55    54    57    59   0.00000  1.0 1.0
   55    54    57    60   0.00000  1.0 1.0
   56    55    61    62   7.00000 -1.0 2.0
   56    55    61    63   7.00000 -1.0 2.0
   57    54    55    56   0.00000  1.0 1.0
   57    54    55    61  -0.18600  1.0 3.0
   50    46    47    33   0.01700  1.0 1.0
   50    46    47    33  -0.23550 -1.0 2.0
   50    46    47    33   0.21350  1.0 3.0
   50    46    48    49   0.00000  1.0 1.0
   50    46    48    54   0.09850  1.0 1.0
   50    46    48    54   0.15250 -1.0 2.0
   50    46    48    54  -0.50650  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    46   0.60050  1.0 1.0
   42    38    40    46   0.05600 -1.0 2.0
   42    38    40    46   0.26150  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
   38    46    40    41  10.50000 -1.0 2.0
   46    49    48    54  15.00000 -1.0 2.0
   55    57    54    48  15.00000 -1.0 2.0
   54    56    55    61  15.00000 -1.0 2.0
   62    63    61    55  15.00000 -1.0 2.0
END
