MMs01392550 MOE2007 2D CORINA 3.40 0006 02.08.2006 29 30 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 0.0101 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3141 -2.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3242 -3.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0302 -4.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2738 -3.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2839 -2.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5879 -1.5174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8819 -2.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8718 -3.7761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1860 -1.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4799 -2.2936 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.7840 -1.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1502 -2.1716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0644 0.7473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1613 -1.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4201 0.2404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9508 -0.0616 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6282 -4.4825 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.0081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0081 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3493 -1.6343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0383 -5.6999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3090 -4.3656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5960 -0.3174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4208 -0.6104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9635 -0.6208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3539 -1.1971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 19 1 0 0 0 0 5 6 2 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 M END