1.00000000 1.00000000 1.00000000 < LEN 
90.0000000 90.0000000 90.0000000 < ANG 
-0.1790503 2.83379923 -3.0568028 H 001 
0.14870816 2.37284723 -2.2692005 O 002 
0.54799158 1.03403123 -1.9286158 C 003 
-0.7280021 0.18699523 -2.1136450 C 004 
-0.6336372 -1.1665007 -1.3440544 C 005 
-0.0117549 -0.9712567 0.07068225 C 006 
-0.0078373 -2.2792447 0.96144240 C 007 
-0.0557330 -1.7111287 2.41547735 C 008 
-1.0035117 -0.4222247 2.33360601 C 009 
-0.8004553 0.11799923 0.87302136 C 010 
-0.0227344 1.45975123 0.61267050 C 011 
1.03267127 1.08687923 -0.4483820 C 012 
1.33024971 -0.4060767 -0.0144639 C 013 
1.65325666 0.65088323 -2.9536449 C 014 
-1.0235117 -3.3802447 0.68471728 C 015 
0.82901484 1.92070323 1.85547740 C 016 
-0.9982895 2.57102723 0.30319685 C 017 
-1.5901790 0.67437123 -1.7943468 H 018 
-0.8593760 -0.0889887 -3.1534110 H 019 
-1.5771255 -1.5423087 -1.2376217 H 020 
-0.0066957 -1.7918687 -1.8762181 H 021 
0.88480157 -2.7901087 0.76003891 H 022 
-0.4190945 -2.4231087 3.03606209 H 023 
0.92770537 -1.4395487 2.64307967 H 024 
-1.9595146 -0.7202287 2.54483406 H 025 
-0.6419845 0.23397123 3.08518489 H 026 
-1.7289784 0.30737123 0.46530210 H 027 
1.83908462 1.76069123 -0.4025340 H 028 
1.85426118 -0.8817087 -0.8118907 H 029 
1.86469826 -0.4266287 0.84191025 H 030 
1.83293736 -0.4413087 -2.7931771 H 031 
1.31912375 0.80649123 -3.9393758 H 032 
2.51614070 1.20285123 -2.7768028 H 033 
-1.2183182 -3.8617487 1.64424935 H 034 
-1.8979185 -3.0396687 0.26881089 H 035 
-0.6077286 -4.1406687 0.02319687 H 036 
0.19104539 2.24513123 2.74132527 H 037 
1.39580527 1.14413123 2.25009725 H 038 
1.39960179 2.75893123 1.64424935 H 039 
-0.4940685 3.47825123 0.41617929 H 040 
-1.3643387 2.50937123 -0.6153995 H 041 
-1.7372583 2.56809123 1.05477572 H 042 
H 001 - O 002 = 0.970  
O 002 - C 003 = 1.438  
C 003 - C 004 = 1.543  
C 003 - C 012 = 1.558  
C 003 - C 014 = 1.555  
C 004 - C 005 = 1.560  
C 004 - H 018 = 1.041  
C 004 - H 019 = 1.084  
C 005 - C 006 = 1.558  
C 005 - H 020 = 1.021  
C 005 - H 021 = 1.033  
C 006 - C 007 = 1.582  
C 006 - C 010 = 1.566  
C 006 - C 013 = 1.459  
C 007 - C 008 = 1.562  
C 007 - C 015 = 1.523  
C 007 - H 022 = 1.048  
C 008 - C 009 = 1.602  
C 008 - H 023 = 1.012  
C 008 - H 024 = 1.045  
C 009 - C 010 = 1.570  
C 009 - H 025 = 1.023  
C 009 - H 026 = 1.061  
C 010 - C 011 = 1.573  
C 010 - H 027 = 1.032  
C 011 - C 012 = 1.542  
C 011 - C 016 = 1.576  
C 011 - C 017 = 1.511  
C 012 - C 013 = 1.583  
C 012 - H 028 = 1.052  
C 013 - H 029 = 1.066  
C 013 - H 030 = 1.010  
C 014 - H 031 = 1.118  
C 014 - H 032 = 1.052  
C 014 - H 033 = 1.039  
C 015 - H 034 = 1.091  
C 015 - H 035 = 1.026  
C 015 - H 036 = 1.090  
C 016 - H 037 = 1.139  
C 016 - H 038 = 1.039  
C 016 - H 039 = 1.036  
C 017 - H 040 = 1.044  
C 017 - H 041 = 0.991  
C 017 - H 042 = 1.054  
