MMs01041290 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2442 -1.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7442 -1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7558 1.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2558 1.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 -0.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7557 1.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7441 -1.3292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2441 -1.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1312 -0.1264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5557 -0.5963 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5490 -2.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1203 -2.5534 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.7586 -2.9834 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.8715 -4.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6457 -1.7738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9681 -3.8705 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3412 -3.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5507 -4.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3873 -5.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5968 -6.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9699 -5.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1333 -4.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9238 -3.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0054 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0054 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6395 -2.3456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3395 -2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3604 2.3188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6604 2.3309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1395 -2.3658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8374 -5.0633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6746 -2.2686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2081 -2.4368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2888 -6.1278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4661 -7.7246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9375 -6.6375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2318 -3.9535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0545 -2.3568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END