MMs02618519 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 43 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 1.1375 -0.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 -0.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8311 0.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2467 1.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3842 0.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1061 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6905 -1.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7997 1.0069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9372 0.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3528 0.5252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6308 1.9992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4902 -0.4526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9058 0.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1839 1.5176 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.0433 -0.9342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4588 -0.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7369 1.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1525 1.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2900 0.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0119 -0.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5963 -1.4159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1494 -1.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7055 1.0505 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7823 0.9100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 0.7823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7823 -0.9100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2091 -1.7381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -2.0241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9211 1.7746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4691 2.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0161 -1.7455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4681 -2.6387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0088 -0.7313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5248 -1.0172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2678 -1.6318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8208 -2.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8269 1.8182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3749 2.7113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3671 -2.8075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0594 -2.6798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9316 -0.9875 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 28 1 0 0 0 0 2 29 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 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 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 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 34 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 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 37 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 24 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M END