MMs00484693 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 54 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 1.4129 -0.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9092 -1.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8258 -1.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9166 0.9092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 1.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3638 0.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8957 2.5924 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3711 2.8627 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5226 3.7112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3429 1.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8184 1.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7902 0.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2656 1.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2374 -0.0247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7129 0.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2165 1.6585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6846 -0.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1601 -0.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1319 -1.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6282 -3.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6000 -4.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0754 -4.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5791 -2.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6073 -1.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1110 -0.0863 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8748 4.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3503 4.5459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4029 1.1303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1303 0.4029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2015 -0.5652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3441 -1.7151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5063 -3.0469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4744 -2.1180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6244 -1.5725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9562 -1.4103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2288 0.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1183 3.5065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3077 1.1132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7608 0.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4005 3.1152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8536 2.5972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7549 0.2408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2081 -0.2772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8477 2.2428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3008 1.7248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8345 -1.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7422 0.4981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1953 -0.0199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4478 -3.3986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1971 -5.4553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8529 -4.9689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7595 -2.4256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9030 5.4182 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 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 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 25 2 0 0 0 0 21 22 2 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 23 24 2 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 M CHG 1 54 -1 M END