MMs00517205 MOE2007 2D CORINA 3.40 0006 02.08.2006 36 38 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 1.3927 -0.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7606 -2.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2573 -2.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8144 -0.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6620 0.2421 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2686 -0.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3143 -1.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9058 -2.8690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4516 -3.2369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9514 -3.9444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4056 -3.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4513 -4.6520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8141 -2.1333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7685 -1.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1770 0.3855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2683 -1.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3140 -2.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7682 -2.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1767 -1.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1310 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6768 -0.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6309 -0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0394 0.7815 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4457 1.1142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1142 0.4457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4457 -1.1142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9924 -2.9332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8966 -3.1263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5954 0.8044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6246 -5.0991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9872 -3.9955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6047 -3.3333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4578 1.2004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8403 0.5382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6766 -1.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 24 1 0 0 0 0 23 36 2 0 0 0 0 M CHG 1 24 -1 M END