1.00000000 1.00000000 1.00000000 < LEN 90.0000000 90.0000000 90.0000000 < ANG -5.4955910 -1.0133950 2.91037500 C 001 -5.2940540 0.30163500 3.28406200 C 002 -5.1170830 1.29491600 2.34027800 C 003 -5.1681730 0.96739800 1.03300900 N 004 -5.4108550 -0.2836400 0.64656800 C 005 -5.5928260 -1.2767400 1.56612000 C 006 -4.8232060 2.00629000 0.00377400 C 007 -3.3211770 2.02342900 -0.1939100 C 008 -2.7326520 1.26795900 -1.1746800 C 009 -1.3500230 1.15061700 -1.2397250 C 010 -0.5570720 1.78189400 -0.3023170 C 011 -1.1464440 2.59522900 0.64784300 C 012 -2.5235080 2.71797900 0.71288800 C 013 0.92933900 1.51087600 -0.2653310 C 014 1.19119200 0.42331700 0.72564100 N 015 1.17616900 -0.8565610 0.33282300 C 016 1.28253200 -1.8680460 1.23707100 C 017 1.42451300 -1.6030780 2.57367300 C 018 1.49657500 -0.2643440 2.94608600 C 019 1.38663800 0.72154500 2.02015700 C 020 -2.1361020 -3.0374680 2.59280400 C 021 -2.0083810 -1.8666520 1.88496600 C 022 -1.9380170 -0.6734070 2.56729600 C 023 -1.9319660 -1.7755210 0.51392800 O 024 -1.9528470 -2.9868750 -0.2487510 C 025 -1.8182750 -2.6678060 -1.6810080 C 026 -0.4672990 -2.3079040 -1.9564910 O 027 -0.2162520 -2.1251110 -3.3390070 C 028 1.21859100 -2.0492960 -3.5711270 C 029 1.76666500 -0.8902930 -2.9908270 O 030 3.16937500 -0.7993310 -3.2879920 C 031 3.74541400 0.31234000 -2.5163840 C 032 3.78152900 -0.0582780 -1.1364190 O 033 4.36336000 0.81887200 -0.2513020 C 034 4.57226900 0.31207900 1.00367500 C 035 5.09814000 1.12721500 1.97934400 C 036 5.44383700 2.43229000 1.69876000 C 037 5.98950100 3.17919600 2.71141500 O 038 5.20528200 2.91646200 0.43357800 C 039 4.68842400 2.11358200 -0.5255100 C 040 -5.2757300 0.53022000 4.21636800 H 041 -5.4589820 -0.4924880 -0.2895630 H 042 -5.7890020 -2.1672730 1.26895500 H 043 -5.2544670 1.79166700 -0.8265000 H 044 -5.1166920 2.86897400 0.30476500 H 045 -3.2817940 0.81907900 -1.8225750 H 046 -0.9462090 0.63053900 -1.9386350 H 047 -0.5947900 3.08169500 1.26512900 H 048 -2.9264160 3.27771500 1.37991400 H 049 1.39864800 2.30668800 -0.0038770 H 050 1.22958800 1.23478900 -1.1351430 H 051 1.08873600 -1.0627950 -0.6007570 H 052 1.25729300 -2.7772350 0.93225400 H 053 1.62442200 -0.0368390 3.87073900 H 054 1.45148800 1.64002000 2.29181300 H 055 -2.1949190 -3.8746330 2.12473800 H 056 -1.8598530 0.14958800 2.08010000 H 057 -1.2228950 -3.5481230 0.02418000 H 058 -2.7832440 -3.4457280 -0.0995310 H 059 -2.3965700 -1.9340570 -1.9003740 H 060 -2.0600030 -3.4346660 -2.2064660 H 061 -0.5813980 -2.8626830 -3.8325810 H 062 -0.6278120 -1.3097010 -3.6310700 H 063 1.38506200 -2.0354370 -4.5161870 H 064 1.63846900 -2.8201010 -3.1834100 H 065 3.60404800 -1.6196950 -3.0469440 H 066 3.29034500 -0.6363100 -4.2266750 H 067 3.20528000 1.09763400 -2.6260680 H 068 4.63713200 0.49018600 -2.8237520 H 069 4.35179300 -0.6006620 1.20008400 H 070 5.22784500 0.78015600 2.86573600 H 071 6.09658600 4.09600300 2.38109000 H 072 5.40877400 3.83217800 0.22951700 H 073 4.54772700 2.45992000 -1.4106260 H 074 -2.1611900 -2.0488900 4.62667100 C 075 1.32602000 -2.9021460 3.60126200 C 076 1.12448300 -4.2171760 3.22757500 C 077 0.94751200 -5.2104570 4.17135900 C 078 0.99860200 -4.8829390 5.47862800 N 079 1.24128400 -3.6319010 5.86506900 C 080 1.42325500 -2.6388010 4.94551700 C 081 0.65363500 -5.9218310 6.50786300 C 082 -0.8483930 -5.9389700 6.70554700 C 083 -1.4369180 -5.1835000 7.68631700 C 084 -2.8195470 -5.0661580 7.75136200 C 085 -3.6124980 -5.6974350 6.81395400 C 086 -3.0231260 -6.5107700 5.86379400 C 087 -1.6460620 -6.6335200 5.79874900 C 088 -5.0989090 -5.4264170 6.77696800 C 089 -5.3607620 -4.3388580 5.78599600 N 090 -5.3457390 -3.0589800 6.17881400 C 091 -5.4521020 -2.0474950 5.27456600 C 092 -5.5940830 -2.3124630 3.93796400 C 093 -5.6661450 -3.6511970 3.56555100 C 094 -5.5562080 -4.6370860 4.49148000 C 095 -2.0334680 -0.8780730 3.91883300 C 096 -2.2315530 -3.2421340 3.94434100 C 097 -2.2376040 -2.1400200 5.99770900 O 098 -2.2167230 -0.9286660 6.76038800 C 099 -2.3512950 -1.2477350 8.19264500 C 100 -3.7022710 -1.6076370 8.46812800 O 101 -3.9533180 -1.7904300 9.85064400 C 102 -5.3881610 -1.8662450 10.0827640 C 103 -5.9362350 -3.0252480 9.50246400 O 104 -7.3389450 -3.1162100 9.79962900 C 105 -7.9149840 -4.2278810 9.02802100 C 106 -7.9510990 -3.8572630 7.64805600 O 107 -8.5329300 -4.7344130 6.76293900 C 108 -8.7418390 -4.2276200 5.50796200 C 109 -9.2677100 -5.0427560 4.53229300 C 110 -9.6134070 -6.3478310 4.81287700 C 111 -10.159071 -7.0947370 3.80022200 O 112 -9.3748520 -6.8320030 6.07805900 C 113 -8.8579940 -6.0291230 7.03714700 C 114 1.10615900 -4.4457610 2.29526900 H 115 1.28941100 -3.4230530 6.80120000 H 116 1.61943100 -1.7482680 5.24268200 H 117 1.08489600 -5.7072080 7.33813700 H 118 0.94712100 -6.7845150 6.20687200 H 119 -0.8877760 -4.7346200 8.33421200 H 120 -3.2233610 -4.5460800 8.45027200 H 121 -3.5747800 -6.9972360 5.24650800 H 122 -1.2431540 -7.1932560 5.13172300 H 123 -5.5682180 -6.2222290 6.51551400 H 124 -5.3991580 -5.1503300 7.64678000 H 125 -5.2583060 -2.8527460 7.11239400 H 126 -5.4268630 -1.1383060 5.57938300 H 127 -5.7939920 -3.8787020 2.64089800 H 128 -5.6210580 -5.5555610 4.21982400 H 129 -1.9746510 -0.0409080 4.38689900 H 130 -2.3097170 -4.0651290 4.43153700 H 131 -2.9466750 -0.3674180 6.48745700 H 132 -1.3863260 -0.4698130 6.61116800 H 133 -1.7730000 -1.9814840 8.41201100 H 134 -2.1095670 -0.4808750 8.71810300 H 135 -3.5881720 -1.0528580 10.3442180 H 136 -3.5417580 -2.6058400 10.1427070 H 137 -5.5546320 -1.8801040 11.0278240 H 138 -5.8080390 -1.0954400 9.69504700 H 139 -7.7736180 -2.2958460 9.55858100 H 140 -7.4599150 -3.2792310 10.7383120 H 141 -7.3748500 -5.0131750 9.13770500 H 142 -8.8067020 -4.4057270 9.33538900 H 143 -8.5213630 -3.3148790 5.31155300 H 144 -9.3974150 -4.6956970 3.64590100 H 145 -10.266156 -8.0115440 4.13054700 H 146 -9.5783440 -7.7477190 6.28212000 H 147 -8.7172970 -6.3754610 7.92226300 H 148 0.75133600 -6.1009910 3.87419400 H 149 -4.9209070 2.18544900 2.63744300 H 150 C 001 - C 002 = 1.382 C 001 - C 006 = 1.373 C 001 - C 093 = 1.659 C 002 - C 003 = 1.382 C 002 - H 041 = 0.960 C 003 - N 004 = 1.349 C 003 - H 150 = 0.959 N 004 - C 005 = 1.332 N 004 - C 007 = 1.503 C 005 - C 006 = 1.366 C 005 - H 042 = 0.960 C 006 - H 043 = 0.959 C 007 - C 008 = 1.515 C 007 - H 044 = 0.960 C 007 - H 045 = 0.960 C 008 - C 009 = 1.371 C 008 - C 013 = 1.393 C 009 - C 010 = 1.389 C 009 - H 046 = 0.961 C 010 - C 011 = 1.381 C 010 - H 047 = 0.960 C 011 - C 012 = 1.383 C 011 - C 014 = 1.511 C 012 - C 013 = 1.384 C 012 - H 048 = 0.960 C 013 - H 049 = 0.959 C 014 - N 015 = 1.494 C 014 - H 050 = 0.960 C 014 - H 051 = 0.961 N 015 - C 016 = 1.339 N 015 - C 020 = 1.343 C 016 - C 017 = 1.361 C 016 - H 052 = 0.960 C 017 - C 018 = 1.370 C 017 - H 053 = 0.959 C 018 - C 019 = 1.391 C 018 - C 076 = 1.659 C 019 - C 020 = 1.357 C 019 - H 054 = 0.961 C 020 - H 055 = 0.960 C 021 - C 022 = 1.374 C 021 - H 056 = 0.961 C 021 - C 097 = 1.370 C 022 - C 023 = 1.376 C 022 - O 024 = 1.376 C 023 - H 057 = 0.960 C 023 - C 096 = 1.370 O 024 - C 025 = 1.432 C 025 - C 026 = 1.474 C 025 - H 058 = 0.960 C 025 - H 059 = 0.960 C 026 - O 027 = 1.425 C 026 - H 060 = 0.960 C 026 - H 061 = 0.961 O 027 - C 028 = 1.417 C 028 - C 029 = 1.455 C 028 - H 062 = 0.960 C 028 - H 063 = 0.959 C 029 - O 030 = 1.407 C 029 - H 064 = 0.960 C 029 - H 065 = 0.960 O 030 - C 031 = 1.437 C 031 - C 032 = 1.471 C 031 - H 066 = 0.959 C 031 - H 067 = 0.960 C 032 - O 033 = 1.429 C 032 - H 068 = 0.959 C 032 - H 069 = 0.960 O 033 - C 034 = 1.375 C 034 - C 035 = 1.369 C 034 - C 040 = 1.363 C 035 - C 036 = 1.376 C 035 - H 070 = 0.959 C 036 - C 037 = 1.379 C 036 - H 071 = 0.961 C 037 - O 038 = 1.372 C 037 - C 039 = 1.376 O 038 - H 072 = 0.980 C 039 - C 040 = 1.353 C 039 - H 073 = 0.960 C 040 - H 074 = 0.961 C 075 - C 096 = 1.374 C 075 - C 097 = 1.376 C 075 - O 098 = 1.376 C 076 - C 077 = 1.382 C 076 - C 081 = 1.373 C 077 - C 078 = 1.382 C 077 - H 115 = 0.960 C 078 - N 079 = 1.349 C 078 - H 149 = 0.959 N 079 - C 080 = 1.332 N 079 - C 082 = 1.503 C 080 - C 081 = 1.366 C 080 - H 116 = 0.960 C 081 - H 117 = 0.959 C 082 - C 083 = 1.515 C 082 - H 118 = 0.960 C 082 - H 119 = 0.960 C 083 - C 084 = 1.371 C 083 - C 088 = 1.393 C 084 - C 085 = 1.389 C 084 - H 120 = 0.961 C 085 - C 086 = 1.381 C 085 - H 121 = 0.960 C 086 - C 087 = 1.383 C 086 - C 089 = 1.511 C 087 - C 088 = 1.384 C 087 - H 122 = 0.960 C 088 - H 123 = 0.959 C 089 - N 090 = 1.494 C 089 - H 124 = 0.960 C 089 - H 125 = 0.961 N 090 - C 091 = 1.339 N 090 - C 095 = 1.343 C 091 - C 092 = 1.361 C 091 - H 126 = 0.960 C 092 - C 093 = 1.370 C 092 - H 127 = 0.959 C 093 - C 094 = 1.391 C 094 - C 095 = 1.357 C 094 - H 128 = 0.961 C 095 - H 129 = 0.960 C 096 - H 130 = 0.961 C 097 - H 131 = 0.960 O 098 - C 099 = 1.432 C 099 - C 100 = 1.474 C 099 - H 132 = 0.960 C 099 - H 133 = 0.960 C 100 - O 101 = 1.425 C 100 - H 134 = 0.960 C 100 - H 135 = 0.961 O 101 - C 102 = 1.417 C 102 - C 103 = 1.455 C 102 - H 136 = 0.960 C 102 - H 137 = 0.959 C 103 - O 104 = 1.407 C 103 - H 138 = 0.960 C 103 - H 139 = 0.960 O 104 - C 105 = 1.437 C 105 - C 106 = 1.471 C 105 - H 140 = 0.959 C 105 - H 141 = 0.960 C 106 - O 107 = 1.429 C 106 - H 142 = 0.959 C 106 - H 143 = 0.960 O 107 - C 108 = 1.375 C 108 - C 109 = 1.369 C 108 - C 114 = 1.363 C 109 - C 110 = 1.376 C 109 - H 144 = 0.959 C 110 - C 111 = 1.379 C 110 - H 145 = 0.961 C 111 - O 112 = 1.372 C 111 - C 113 = 1.376 O 112 - H 146 = 0.980 C 113 - C 114 = 1.353 C 113 - H 147 = 0.960 C 114 - H 148 = 0.961