MMs01805987 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 58 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 1.5000 -0.0109 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2594 1.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7593 1.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 -0.0436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7405 -1.3262 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3329 -2.3698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2405 -1.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4811 -2.6089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2332 2.6950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0261 3.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8062 2.7126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0370 5.0854 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7434 5.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7543 7.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4608 8.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8437 7.3636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6631 3.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9856 4.6130 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2962 5.7721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4155 5.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5229 4.0544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9529 4.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2754 5.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7053 6.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8127 5.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4902 3.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0603 3.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7377 2.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8451 1.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2751 1.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5976 2.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8782 5.6248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0087 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0087 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3248 4.7202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5632 6.0617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9346 7.1278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1729 8.4694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8215 1.9586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8620 3.0975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8599 6.1298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3665 5.7981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3894 6.7819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9633 7.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9566 5.7764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5938 1.6684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5871 -0.1528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1610 0.6629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7415 3.2997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1362 6.7967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4717 9.6041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5632 10.2117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 19 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 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 54 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 34 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 31 32 2 0 0 0 0 31 50 1 0 0 0 0 32 33 1 0 0 0 0 32 51 1 0 0 0 0 33 52 1 0 0 0 0 34 53 1 0 0 0 0 54 55 1 0 0 0 0 M END