MMs03916779 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 1.4446 -0.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9605 1.0047 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5605 2.0439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4595 0.9493 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8700 -0.4935 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1806 -1.6526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6248 -1.3297 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3128 -0.0829 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1613 0.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9022 1.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6321 2.6702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6232 -0.8128 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9105 -0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8874 1.4569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2210 -0.7728 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.2602 -1.3728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5083 -0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8187 -0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1061 0.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0829 1.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7725 2.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4852 1.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1243 2.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7846 3.5968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 -1.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 1.1557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1557 0.3230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 -1.1557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -2.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8372 -1.9326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1544 -0.5467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1128 2.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7540 3.4668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4368 2.0809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4541 -0.6951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3835 -2.3907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3121 -2.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2441 -2.2726 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2142 -2.8886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2924 -2.8565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3723 2.1484 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 24 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 39 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 21 22 2 0 0 0 0 21 33 1 0 0 0 0 22 23 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 26 36 1 0 0 0 0 26 37 1 0 0 0 0 26 38 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 M CHG 1 42 -1 M END