MMs03898153 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 43 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 0.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2459 1.3062 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0459 1.3062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 2.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 1.3110 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1458 0.2717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 2.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 2.6172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7458 1.3205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7541 -1.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2541 -1.2728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0082 -2.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2624 -3.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5082 -2.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2624 -3.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7623 -3.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5082 -2.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7541 -1.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2541 -1.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4999 0.0334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0966 1.0746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 0.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2458 1.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0038 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0038 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2954 -1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6289 -0.4021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 3.2061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8884 3.6402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4544 1.9995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9033 -1.0268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6278 -1.6915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9662 -2.4586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6657 -4.9024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3657 -4.8938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7082 -2.5512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3508 -0.2173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7376 3.9090 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 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 2 0 0 0 0 8 42 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 25 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 22 2 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 M CHG 1 42 -1 M END