1.00000000 1.00000000 1.00000000 < LEN 
90.0000000 90.0000000 90.0000000 < ANG 
-0.2785548 -3.0793640 -0.3193041 H 001 
-0.7881361 0.14272579 0.79919200 C 002 
-1.0995961 -1.3520182 0.66948200 C 003 
-0.0891411 -2.0483402 -0.2812159 C 004 
-0.1625311 -1.5480502 -1.7843259 C 005 
0.74320881 -0.3504172 -2.0239079 C 006 
0.79422381 0.79310279 -0.9908059 C 007 
1.52991381 0.43064779 0.28950800 C 008 
0.55883881 0.60319679 1.43095600 C 009 
-0.6547811 1.10654979 -0.4231339 C 010 
0.30734381 2.13163379 1.56829600 C 011 
-0.6118211 2.47264779 0.35512600 C 012 
-2.5673961 -1.4510552 0.17353200 C 013 
-0.9913011 -1.9850382 2.07340200 C 014 
1.44130881 1.98052579 -1.6775059 C 015 
2.83392881 0.06717179 0.35817800 C 016 
-1.5757361 0.48884479 1.42332600 H 017 
0.85060881 -1.8594552 0.09570600 H 018 
-1.1246561 -1.3234302 -2.0422199 H 019 
0.12565881 -2.3434092 -2.4069339 H 020 
0.51856381 0.02428979 -2.9898659 H 021 
1.71159881 -0.6985782 -2.2482299 H 022 
0.82823381 -0.0482012 2.22905400 H 023 
-1.3421411 1.15453679 -1.1846079 H 024 
1.19070881 2.64621779 1.46910600 H 025 
-0.2260761 2.32460279 2.43048600 H 026 
-0.1517911 3.14548679 -0.2903719 H 027 
-1.5739461 2.68297379 0.63896200 H 028 
-3.1043961 -2.1065372 0.77477600 H 029 
-3.0193711 -0.5045882 0.22083800 H 030 
-2.6219911 -1.8329092 -0.8198939 H 031 
-1.5506761 -1.4245092 2.74179000 H 032 
-1.3645161 -2.9651982 2.05509000 H 033 
0.00125381 -2.0187312 2.39844000 H 034 
1.73844881 2.70645679 -0.9358699 H 035 
2.21190381 1.75386379 -2.2589119 H 036 
0.69308881 2.51042479 -2.2589119 H 037 
3.33065381 -0.1768472 1.15322400 H 038 
3.48906881 -0.0492222 -0.4124519 H 039 
H 001 - C 004 = 1.049  
C 002 - C 003 = 1.532  
C 002 - C 009 = 1.557  
C 002 - C 010 = 1.562  
C 002 - H 017 = 1.063  
C 003 - C 004 = 1.552  
C 003 - C 013 = 1.552  
C 003 - C 014 = 1.544  
C 004 - C 005 = 1.586  
C 004 - H 018 = 1.030  
C 005 - C 006 = 1.521  
C 005 - H 019 = 1.021  
C 005 - H 020 = 1.050  
C 006 - C 007 = 1.542  
C 006 - H 021 = 1.060  
C 006 - H 022 = 1.053  
C 007 - C 008 = 1.520  
C 007 - C 010 = 1.587  
C 007 - C 015 = 1.517  
C 008 - C 009 = 1.509  
C 008 - C 016 = 1.355  
C 009 - C 011 = 1.555  
C 009 - H 023 = 1.065  
C 010 - C 012 = 1.573  
C 010 - H 024 = 1.027  
C 011 - C 012 = 1.560  
C 011 - H 025 = 1.027  
C 011 - H 026 = 1.032  
C 012 - H 027 = 1.040  
C 012 - H 028 = 1.025  
C 013 - H 029 = 1.039  
C 013 - H 030 = 1.050  
C 013 - H 031 = 1.066  
C 014 - H 032 = 1.036  
C 014 - H 033 = 1.049  
C 014 - H 034 = 1.045  
C 015 - H 035 = 1.079  
C 015 - H 036 = 0.992  
C 015 - H 037 = 1.086  
C 016 - H 038 = 0.969  
C 016 - H 039 = 1.018  
