MMs02612838 MOE2007 2D CORINA 3.40 0006 02.08.2006 62 66 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 0.7539 -1.2968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 -1.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2539 -1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5078 -2.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0078 -2.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7539 -1.2788 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7494 0.2212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7584 -2.7788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2539 -1.2743 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0077 -2.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2616 -3.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0155 -5.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5155 -5.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2616 -3.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5077 -2.5666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2538 -1.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 0.0315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7538 -1.2608 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4999 0.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9999 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7538 -1.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0077 -2.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5077 -2.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2538 -1.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1391 -2.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5643 -1.9904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5372 -2.6928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5598 -0.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1319 -0.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8156 1.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9273 2.4421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3553 1.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6715 0.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0374 0.6031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6031 1.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0374 -0.6031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3969 1.0464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0969 1.0545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1109 -3.6220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4109 -3.6301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8507 -0.2333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0616 -3.8760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4186 -6.2102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1186 -6.2021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4616 -3.8598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3711 0.4475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7048 1.2228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7880 1.2261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1263 0.4588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3538 -2.2911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1366 -2.9602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8029 -3.7355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3813 -2.9714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7196 -3.7387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7717 -3.6006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6732 1.8025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6743 3.6152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2446 2.7885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8139 0.1492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 41 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 0 0 0 0 8 43 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 16 17 2 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 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 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 28 2 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 36 2 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 59 1 0 0 0 0 34 35 2 0 0 0 0 34 60 1 0 0 0 0 35 36 1 0 0 0 0 35 61 1 0 0 0 0 36 62 1 0 0 0 0 M END