C ( 1) 0.000000 0 0.000000 0 0.000000 0 0 0 0 C ( 2) 1.441391 1 0.000000 0 0.000000 0 1 0 0 C ( 3) 2.056679 1 80.783779 1 0.000000 0 2 1 0 C ( 4) 1.444924 1 100.374112 1 359.878741 1 3 2 1 C ( 5) 1.490014 1 116.865336 1 68.951147 1 2 1 3 C ( 6) 1.347734 1 104.033329 1 289.977404 1 5 2 1 C ( 7) 1.485991 1 116.963000 1 292.739581 1 4 3 2 C ( 8) 1.348394 1 104.858542 1 67.788835 1 7 4 3 H ( 9) 1.088273 1 125.535824 1 181.635677 1 5 2 6 H ( 10) 1.088177 1 131.223577 1 175.074432 1 6 5 2 H ( 11) 1.088429 1 125.242928 1 178.247207 1 7 4 8 H ( 12) 1.087805 1 130.974256 1 185.557781 1 8 7 4 H ( 13) 1.101207 1 120.297081 1 253.050573 1 1 2 3 N ( 14) 1.432614 1 118.392907 1 167.923026 1 2 1 5 H ( 15) 1.101586 1 100.469296 1 236.440587 1 3 2 4 N ( 16) 1.427160 1 118.258823 1 191.715797 1 4 3 7 O ( 17) 1.183264 1 121.840419 1 187.554173 1 14 2 1 O ( 18) 1.185052 1 121.911039 1 172.383948 1 16 4 3 0.000000 0 0.000000 0 0.000000 0