MMs01253542 MOE2007 2D CORINA 3.40 0006 02.08.2006 45 48 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 -1.3588 0.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 2.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2584 2.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1004 2.3535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2296 0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8468 2.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0764 1.9060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4942 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9313 3.8307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3982 1.1987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5391 -0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0289 -1.4487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1042 0.4062 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.8979 1.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6718 -0.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1715 -0.0308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.9454 -1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2195 -2.6284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4451 -1.2880 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -12.1346 -0.1289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6373 -0.8959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9297 -1.0750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -16.1297 -1.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6622 0.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8308 -1.6878 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -12.9823 -2.5363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2970 -2.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3705 -2.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1034 -1.1955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3425 -0.0520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3618 4.1844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 0.3509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9502 3.9606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6677 2.4042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0178 1.6576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5519 -0.4897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9020 -1.2362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7522 1.0193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8739 0.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2226 0.1517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8543 -0.0398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2745 1.2331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8062 -4.0702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4513 -3.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 14 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 15 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 M END