MMs00558378 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 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 -0.9069 -1.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3255 -2.5776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3950 -1.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4218 -2.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7791 -1.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0935 -2.1845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5911 0.0264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1177 0.3075 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9662 1.1561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4791 1.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3352 2.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6966 4.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2019 4.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 3.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9844 1.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5633 5.7366 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -5.6846 1.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1206 0.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6500 1.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7435 2.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1795 1.8059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.0543 2.6273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1407 -3.5738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9559 -0.7255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7255 0.9559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9559 0.7255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5310 2.7960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3815 5.2391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 3.2481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2995 0.8050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7238 1.7721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2257 2.1243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5795 -0.4515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0814 -0.0993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6109 0.4939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1089 0.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7827 2.9584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2846 3.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 -2.7280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2141 1.6464 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.2532 2.3652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7552 2.7174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 24 2 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 18 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 M CHG 1 41 1 M END