MMs01991668 MOE2007 2D CORINA 3.40 0006 02.08.2006 37 40 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 -0.6460 1.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1414 1.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9908 0.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3448 -1.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8494 -1.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4326 -2.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7510 -1.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4779 0.0387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0298 -2.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9902 -3.7197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6719 -4.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3931 -3.6512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3482 -1.5048 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.6270 -2.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9453 -1.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9849 -0.0738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2241 -2.3573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.5425 -1.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8213 -2.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1397 -1.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1792 -0.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9004 0.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5821 -0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4976 0.5046 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.1963 -0.0939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0335 2.3428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 2.5541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3325 -2.3194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6402 -5.6348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8316 -3.1874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3738 -3.2281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1925 -3.5569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7897 -3.6254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1627 -2.3376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9321 1.7727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5590 0.4849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 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 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 M END