MMs03886687 MOE2007 2D CORINA 3.40 0006 02.08.2006 56 56 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 1.4053 -0.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8808 -1.9298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8106 -1.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9298 0.8808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4091 1.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3639 -0.0278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9337 2.5344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4130 2.7828 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5644 3.6314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3677 1.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8470 1.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8018 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2358 -0.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7113 -1.5964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7151 0.0572 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6698 -1.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1453 -2.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1491 -0.8513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1039 -2.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5832 -1.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5379 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0172 -2.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5418 -1.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5870 -0.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1077 -0.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9375 4.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9827 5.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4196 1.1242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1242 0.4196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2098 -0.5621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3186 -1.7200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4611 -3.0541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4429 -2.1397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6008 -1.6112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9348 -1.4687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2302 0.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1699 3.4600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3236 1.0344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7689 0.4950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4458 3.0052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8911 2.4658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7577 0.1259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2029 -0.4136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5278 -1.7951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4751 -2.5220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1347 1.1815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0598 -2.5997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5051 -3.1391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1183 -4.0410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7810 -3.5939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7252 -1.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0066 1.0181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3439 0.5710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2810 0.9658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4168 4.4365 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 13 55 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 55 2 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 24 25 2 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 27 28 2 0 0 0 0 27 56 1 0 0 0 0 M CHG 1 56 -1 M END