* LIGAND DATABASE FILE (OPLS2005)
*
001      79    78    138    195     399
    1     0 S   NP   _N1_     1    29.24493    96.12512   -25.24899
    2     1 S   H    _HN1     2     1.02953    68.44998    23.35515
    3     1 S   H    _H1_     3     1.02830    39.22911  -167.69775
    4     1 S   H    _H2_     4     1.02782   113.63529   -78.01432
    5     1 S   CT   _CA1     5     1.50098   131.53258   122.01373
    6     5 S   HC   _HA1     6     1.09575   105.21038    98.60629
    7     5 S   CO3  _C1_     7     1.53881   112.60558   -21.56183
    8     7 S   O2Z  _O11     8     1.26366   114.99359   -39.34002
    9     7 S   O2Z  _O12     9     1.26281   115.02219   139.98226
   10     5 S   CT   _CB1    10     1.53146   107.43332  -143.37686
   11    10 S   HC   HB11    11     1.09813   109.55973   -50.01990
   12    10 S   HC   HB12    12     1.09810   110.38157    66.73522
   13    10 S   CT   _CG1    13     1.52839   112.34398  -171.02508
   14    13 S   HC   HG11    14     1.09550   110.19162   -64.42505
   15    13 S   HC   HG12    15     1.09661   109.88166    54.78381
   16    13 S   C    _CD1    16     1.51672   112.84153   175.79108
   17    16 S   O    _OE1    17     1.22689   123.37089     5.21962
   18    16 S   N    _N2_    18     1.38652   111.34255  -175.52933
   19    18 S   H    _HN2    19     1.01492   118.92267     4.13086
   20    18 S   CT1  _CA2    20     1.46028   123.63045  -178.78019
   21    20 S   HC   _HA2    21     1.09704   109.26413    -4.49710
   22    20 S   C    _C2_    22     1.53499   108.74206  -120.41760
   23    22 S   O    _O2_    23     1.23060   122.18786  -152.38421
   24    20 S   CT   _CB2    32     1.53450   111.74593   117.47483
   25    24 S   HC   HB21    33     1.09603   110.18426    60.39761
   26    24 S   HC   HB22    34     1.09511   109.78812   179.13340
   27    22 S   N    _N3_    24     1.38285   113.81074    34.69536
   28    27 S   H    _HN3    25     1.01620   119.49605    -3.11005
   29    24 S   S    _SG2    35     1.82791   112.15508   -60.13544
   30    27 S   CT   _CA3    26     1.45260   123.15937   178.03039
   31    30 S   HC   HA31    27     1.09548   107.60917   -62.53750
   32    30 S   HC   HA32    28     1.09566   107.85156    53.88821
   33    29 S   CT   _C6_    36     1.83143    99.25003  -173.10474
   34    33 S   HC   _H3_    37     1.09562   106.69551   -39.17338
   35    30 S   CO3  _C3_    29     1.52935   114.10648   175.77413
   36    35 S   O2Z  _O31    30     1.26370   116.06324    -0.19180
   37    35 S   O2Z  _O32    31     1.26430   114.41097   179.80820
   38    33 S   CO4  _C5_    38     1.51732   110.40057    78.18842
   39    38 S   O    _O34    39     1.22368   125.84038    25.26380
   40    33 S   CT   _C7_    45     1.53220   110.46591  -160.03623
   41    40 S   HC   _H9_    46     1.09814   110.68279  -158.87339
   42    40 S   HC   _H10    47     1.09685   112.35847   -40.89495
   43    38 S   OS   _O33    40     1.36809   108.91050  -156.02400
   44    40 S   C    _C8_    48     1.51609   111.13866    81.85986
   45    44 S   O    _O35    49     1.22804   121.88223  -104.36733
   46    43 S   CT   _C4_    41     1.43049   115.28108  -179.62570
   47    46 S   HC   _H6_    42     1.09327   108.10128  -179.33943
   48    46 S   HC   _H7_    43     1.09418   110.25454    61.98717
   49    46 S   HC   _H8_    44     1.09423   110.31395   -60.64413
   50    44 S   N    _N4_    50     1.38366   112.60238    74.23704
   51    50 S   H    _H11    51     1.01566   119.33358     2.91390
   52    50 S   CT   _C9_    52     1.45561   123.48272  -173.17332
   53    52 S   HC   _H12    53     1.09586   108.71671   -31.58728
   54    52 S   HC   _H13    54     1.09529   106.56815  -147.66472
   55    52 S   CT1  _C10    55     1.53415   112.18409    90.90398
   56    55 S   HC   _H4_    56     1.09724   108.41790   174.56718
   57    55 S   CO3  _C11    57     1.54326   109.71072    57.71596
   58    57 S   O2Z  _O37    58     1.26453   114.94737    62.04305
   59    57 S   O2Z  _O36    59     1.26468   115.81521  -117.98540
   60    55 S   N    _N5_    60     1.46254   111.04822   -67.77639
   61    60 S   H    _H14    61     1.01480   116.34638    88.54256
   62    60 S   C    _C12    62     1.38525   123.52274   -89.51360
   63    62 S   O    _O38    63     1.23004   123.86388     1.77321
   64    62 S   CT1  _C13    64     1.53311   112.88933  -179.77015
   65    64 S   HC   _H5_    65     1.09726   107.16792   -64.22139
   66    64 S   CTG  _C14    66     1.53850   113.25436    55.66231
   67    66 S   HC   _H15    67     1.09461   108.49617   -65.97160
   68    66 S   HC   _H16    68     1.09738   108.63705   179.02041
   69    64 S   NT   _N6_    77     1.46498   108.87677   178.97016
   70    69 S   H    _H22    78     1.02319   109.41388   173.69174
   71    69 S   H    _H23    79     1.01973   109.36962    58.19078
   72    66 S   CT   _C15    69     1.52984   114.39290    56.97680
   73    72 S   HC   _H17    70     1.09457   110.25034    60.59800
   74    72 S   HC   _H18    71     1.09425   111.84197   -58.85048
   75    72 S   S    _S1_    72     1.82700   111.49952   179.28618
   76    75 S   CT   _C16    73     1.81141    99.75475    72.03581
   77    76 S   HC   _H19    74     1.09343   108.91783   172.47441
   78    76 S   HC   _H20    75     1.09296   110.58125    53.42148
   79    76 S   HC   _H21    76     1.09203   110.91816   -68.74317
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  11   7   2   1   1  10   3   8   4   3   4   7   3   3   2   1
   1   8   4  10   5   4   9   6   5   2   1   7   3  10   4  11
   7  10   6   5   3   1   1   7   3   2   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    46    40    41    42    44    45    50  
   38    39    43    40    41    42    44  
   36    37  
   37  
    0  
   39    43    46    47    48    49    40    41    42    44  
   43    46    40  
   41    42    44    45    50    51    52    43  
   42    44    45    50  
   44    45    50  
   46    47    48    49  
   45    50    51    52    53    54    55  
   50    51    52  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    54    55    56    57    60  
   52    53    54    55  
   53    54    55    56    57    58    59    60    61    62  
   54    55    56    57    60  
   55    56    57    60  
   56    57    58    59    60    61    62    63    64  
   57    58    59    60    61    62  
   58    59    60    61    62  
   59    60  
   60  
   61    62    63    64    65    66    69  
   62    63    64  
   63    64    65    66    67    68    72    69    70    71  
   64    65    66    69  
   65    66    67    68    72    73    74    75    69    70    71  
   66    67    68    72    69    70    71  
   67    68    72    73    74    75    76    69    70    71  
   68    72    73    74    75    69  
   72    73    74    75    69  
   70    71    72  
   71  
    0  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   51   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   52   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   60   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   61   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   62   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   64   3.5000   0.0660   0.163900   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   70   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   71   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   76   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   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   340.000  1.090
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    43   214.000  1.327
   43    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   317.000  1.522
   44    45   570.000  1.229
   44    50   490.000  1.335
   50    51   434.000  1.010
   50    52   337.000  1.449
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   317.000  1.522
   55    60   337.000  1.449
   57    58   656.000  1.250
   57    59   656.000  1.250
   60    61   434.000  1.010
   60    62   490.000  1.335
   62    63   570.000  1.229
   62    64   317.000  1.522
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    69   305.000  1.457
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   222.000  1.810
   75    76   222.000  1.810
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   69    70   434.000  1.010
   69    71   434.000  1.010
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  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    43    81.00000  111.40000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    43    46    83.00000  116.90000
   43    38    39    83.00000  123.40000
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    44    45    80.00000  120.40000
   40    44    50    70.00000  116.60000
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    50    51    35.00000  119.80000
   44    50    52    50.00000  121.90000
   50    44    45    80.00000  122.90000
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    55    70.00000  110.72300
   52    50    51    38.00000  118.40000
   52    55    56    37.50000  110.70000
   52    55    57    63.00000  111.10000
   52    55    60    80.00000  109.70000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    57    58    70.00000  117.00000
   55    57    59    70.00000  117.00000
   55    60    61    38.00000  118.40000
   55    60    62    50.00000  121.90000
   57    55    56    35.00000  109.50000
   59    57    58    80.00000  126.00000
   60    55    56    35.00000  109.50000
   60    55    57    63.00000  110.10000
   60    62    63    80.00000  122.90000
   60    62    64    70.00000  116.60000
   62    60    61    35.00000  119.80000
   62    64    65    35.00000  109.50000
   62    64    66    63.00000  111.10000
   62    64    69    75.00000  111.54000
   64    62    63    80.00000  120.40000
   64    66    67    37.50000  110.70000
   64    66    68    37.50000  110.70000
   64    66    72    58.35000  112.70000
   64    69    70    50.00000  111.55300
   64    69    71    50.00000  111.55300
   66    64    65    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    75    50.00000  114.70000
   68    66    67    33.00000  107.80000
   72    66    67    37.50000  110.70000
   72    66    68    37.50000  110.70000
   72    75    76    62.00000   98.90000
   74    72    73    33.00000  107.80000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   75    76    77    35.00000  109.50000
   75    76    78    35.00000  109.50000
   75    76    79    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   69    64    65    50.00000  109.55000
   69    64    66    80.00000  111.22000
   71    69    70    43.60000  106.40000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.30150 -1.0 2.0
   29    33    38    43   0.40000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    43    46   1.63150  1.0 1.0
   33    38    43    46   2.92000 -1.0 2.0
   33    40    44    45   0.30150 -1.0 2.0
   33    40    44    50   1.39750  1.0 1.0
   33    40    44    50  -0.07950 -1.0 2.0
   33    40    44    50  -0.18750  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    44  -0.11250  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    42  -0.11250  1.0 3.0
   38    33    40    44   0.11950  1.0 1.0
   38    33    40    44   0.20300 -1.0 2.0
   38    33    40    44  -0.70800  1.0 3.0
   38    43    46    47   0.08050  1.0 3.0
   38    43    46    48   0.08050  1.0 3.0
   38    43    46    49   0.08050  1.0 3.0
   39    38    43    46   3.00000 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33    38    43   0.36750  1.0 3.0
   40    44    50    51   2.45000 -1.0 2.0
   40    44    50    52   1.49850  1.0 1.0
   40    44    50    52   1.53950 -1.0 2.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    50   0.00000  1.0 1.0
   42    40    44    45   0.00000  1.0 1.0
   42    40    44    50   0.00000  1.0 1.0
   44    50    52    53   0.00000  1.0 1.0
   44    50    52    54   0.00000  1.0 1.0
   44    50    52    55  -0.43950  1.0 1.0
   44    50    52    55  -0.08100 -1.0 2.0
   44    50    52    55   0.03350  1.0 3.0
   45    44    50    51   2.45000 -1.0 2.0
   45    44    50    52   3.04450 -1.0 2.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57  -4.61400  1.0 1.0
   50    52    55    60   2.20050  1.0 1.0
   50    52    55    60   0.63450 -1.0 2.0
   50    52    55    60  -0.91300  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    55   0.00000  1.0 1.0
   52    55    57    58   0.00000  1.0 1.0
   52    55    57    59   0.00000  1.0 1.0
   52    55    60    61   0.00000  1.0 1.0
   52    55    60    62   0.25950  1.0 1.0
   52    55    60    62   0.43850 -1.0 2.0
   52    55    60    62   2.61650  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57  -0.03800  1.0 3.0
   53    52    55    60   0.23200  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57  -0.03800  1.0 3.0
   54    52    55    60   0.23200  1.0 3.0
   55    60    62    63   3.04450 -1.0 2.0
   55    60    62    64   1.15000  1.0 1.0
   55    60    62    64   3.04450 -1.0 2.0
   56    55    57    58   0.00000  1.0 1.0
   56    55    57    59   0.00000  1.0 1.0
   56    55    60    61   0.00000  1.0 1.0
   56    55    60    62   0.00000  1.0 1.0
   57    55    60    61   0.00000  1.0 1.0
   57    55    60    62  -0.29800  1.0 1.0
   57    55    60    62   0.13950 -1.0 2.0
   57    55    60    62  -2.45650  1.0 3.0
   60    55    57    58   0.00000  1.0 1.0
   60    55    57    59   0.00000  1.0 1.0
   60    62    64    65   0.00000  1.0 1.0
   60    62    64    66   0.93250  1.0 1.0
   60    62    64    66   0.04450 -1.0 2.0
   60    62    64    66   0.17550  1.0 3.0
   60    62    64    69   0.00000  1.0 1.0
   61    60    62    63   2.45000 -1.0 2.0
   61    60    62    64   2.45000 -1.0 2.0
   62    64    66    67  -0.03800  1.0 3.0
   62    64    66    68  -0.03800  1.0 3.0
   62    64    66    72   0.19200  1.0 1.0
   62    64    66    72  -0.38100 -1.0 2.0
   62    64    69    70   0.21900  1.0 1.0
   62    64    69    70  -0.24900 -1.0 2.0
   62    64    69    70   0.15200  1.0 3.0
   62    64    69    71   0.21900  1.0 1.0
   62    64    69    71  -0.24900 -1.0 2.0
   62    64    69    71   0.15200  1.0 3.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    66   0.00000  1.0 1.0
   63    62    64    69   0.30150 -1.0 2.0
   64    66    72    73   0.15000  1.0 3.0
   64    66    72    74   0.15000  1.0 3.0
   64    66    72    75   1.30950  1.0 1.0
   64    66    72    75  -0.31000 -1.0 2.0
   64    66    72    75   0.12900  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    66    72   0.15000  1.0 3.0
   65    64    69    70   0.20000  1.0 3.0
   65    64    69    71   0.20000  1.0 3.0
   66    64    69    70  -0.05950  1.0 1.0
   66    64    69    70   0.08850 -1.0 2.0
   66    64    69    70   0.11750  1.0 3.0
   66    64    69    71  -0.05950  1.0 1.0
   66    64    69    71   0.08850 -1.0 2.0
   66    64    69    71   0.11750  1.0 3.0
   66    72    75    76   0.46250  1.0 1.0
   66    72    75    76  -0.28800 -1.0 2.0
   66    72    75    76   0.33850  1.0 3.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    74   0.15000  1.0 3.0
   67    66    72    75   0.22600  1.0 3.0
   68    66    72    73   0.15000  1.0 3.0
   68    66    72    74   0.15000  1.0 3.0
   68    66    72    75   0.22600  1.0 3.0
   72    75    76    77   0.32350  1.0 3.0
   72    75    76    78   0.32350  1.0 3.0
   72    75    76    79   0.32350  1.0 3.0
   73    72    75    76   0.32350  1.0 3.0
   74    72    75    76   0.32350  1.0 3.0
   69    64    66    67   0.15000  1.0 3.0
   69    64    66    68   0.15000  1.0 3.0
   69    64    66    72   1.53400  1.0 1.0
   69    64    66    72  -0.09950 -1.0 2.0
   69    64    66    72   0.05700  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    43    38    39  10.50000 -1.0 2.0
   40    50    44    45  10.50000 -1.0 2.0
   51    44    50    52   1.00000 -1.0 2.0
   58    55    57    59  10.50000 -1.0 2.0
   61    62    60    55   1.00000 -1.0 2.0
   60    64    62    63  10.50000 -1.0 2.0
END
