MMs00509759 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 0.4617 -1.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4215 -2.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4587 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1449 -5.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2584 -6.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6856 -5.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9993 -4.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8858 -3.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8877 -1.8925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8594 -1.1884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9215 -2.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6698 -1.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1698 -1.3358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9182 -0.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1666 1.2623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4182 -0.0339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1666 1.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4149 2.5642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6666 1.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4182 -0.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9182 -0.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6666 1.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9149 2.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4149 2.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6633 3.8660 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -13.1666 1.2736 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 0.3694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3694 1.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1417 -0.3694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9968 -5.6904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0074 -7.4996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5763 -6.6685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1410 -4.0282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7146 -3.8197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0496 -3.0467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5417 -0.9287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8767 -0.1557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7712 -2.3743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0195 -1.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8195 -1.0701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5195 -1.0667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5136 3.6098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 40 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 25 2 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 M END