MMs01806691 MOE2007 2D CORINA 3.40 0006 02.08.2006 59 63 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 1.4894 -0.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0802 -1.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1816 -2.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3079 -2.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8986 -1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9372 -3.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3701 -4.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7026 -5.8475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6021 -6.8668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1691 -6.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1633 -4.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4728 -4.2290 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8344 -4.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0602 -3.9937 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0602 -5.1937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4218 -4.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5118 -2.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7376 -1.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0992 -2.0294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2350 -3.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0092 -4.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3250 -1.1649 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.1895 -2.3907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4605 0.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5508 -0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4150 1.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6408 2.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0024 1.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1382 -0.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9124 -0.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2282 2.2932 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9244 -2.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4726 1.1030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2083 0.7831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2718 -1.6987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 -1.0588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2505 -3.5694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8489 -6.2022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8680 -8.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7113 -7.2387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1495 -5.8436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6858 -5.7039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7369 -5.6084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2732 -5.4687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.1788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3537 -2.5792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -0.5545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4225 -0.4148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3931 -3.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7458 -4.6091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8606 -5.2335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3243 -5.3731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3257 1.6969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5321 3.2531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2275 -0.5686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0210 -2.1247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9050 -1.8083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6476 -3.7585 0.0000 N 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 34 1 0 0 0 0 2 3 2 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 4 5 2 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 33 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 59 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 18 59 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 22 59 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 29 30 2 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 33 58 1 0 0 0 0 M END