MMs02186652 MOE2007 2D CORINA 3.40 0006 02.08.2006 81 84 0 0 1 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 1.3009 0.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3047 2.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8990 0.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4971 0.7336 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4578 1.3336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5008 2.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0196 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9457 -0.8682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9472 -1.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4137 -1.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1669 -0.5302 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7669 -1.5695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1661 0.5870 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.6332 2.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1012 2.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1021 1.2034 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.4126 2.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6349 -0.2221 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7864 0.6265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6358 -1.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1038 -1.0311 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.7932 -2.1902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5709 0.3943 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.5701 1.5115 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.0372 2.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5052 3.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5061 2.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9741 2.4360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0389 0.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0381 1.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5718 -0.7230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1047 -2.1484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6376 -3.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1696 -3.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6385 -4.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0716 1.6128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5974 1.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0407 -0.5974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5974 -1.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2617 1.3467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5047 2.2437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3077 3.4467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1047 2.2497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8244 -0.9239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3671 -0.9277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 1.6614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6726 1.6575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4225 -0.9304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9652 -0.9343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7008 2.2306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5039 3.4336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3008 2.2367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7472 -1.5088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8188 -2.7049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0400 -2.9677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5087 -2.3182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4453 2.1824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5943 3.2118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6545 3.4344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1204 2.9539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6166 -1.9726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0826 -2.4530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8493 3.1069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9983 4.1363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0585 4.3589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5244 3.8785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0778 -0.4969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2268 0.5325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2846 0.6453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6253 1.9430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7915 2.9941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7462 -0.4764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7447 -5.4917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4392 -5.5848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5323 -3.8903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8922 2.4883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1960 2.4334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2510 0.7372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 43 1 0 0 0 0 3 44 1 0 0 0 0 3 45 1 0 0 0 0 3 46 1 0 0 0 0 4 5 1 0 0 0 0 4 47 1 0 0 0 0 4 48 1 0 0 0 0 5 6 1 0 0 0 0 5 49 1 0 0 0 0 5 50 1 0 0 0 0 6 7 1 0 0 0 0 6 51 1 0 0 0 0 6 52 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 53 1 0 0 0 0 9 54 1 0 0 0 0 9 55 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 56 1 0 0 0 0 12 57 1 0 0 0 0 13 14 1 0 0 0 0 13 58 1 0 0 0 0 13 59 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 60 1 0 0 0 0 17 61 1 0 0 0 0 18 19 1 0 0 0 0 18 62 1 0 0 0 0 18 63 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 35 1 0 0 0 0 26 27 1 0 0 0 0 26 32 1 0 0 0 0 26 34 1 0 0 0 0 27 28 1 0 0 0 0 27 33 1 0 0 0 0 28 29 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 29 30 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 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