MMs01229798 MOE2007 2D CORINA 3.40 0006 02.08.2006 30 31 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 -0.7589 -1.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2588 -1.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2411 1.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7411 1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9821 2.6186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 0.0308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2588 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7587 -1.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4998 0.0514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5176 -2.5467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.0176 -2.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7765 -3.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2764 -3.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0175 -2.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2586 -1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7587 -1.2322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.5175 -2.5056 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.0082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -2.3372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8659 -2.3187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 2.3392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 3.6537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1340 -1.6812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4752 -2.4434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9247 -3.5900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1836 -4.8736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8835 -4.8551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8515 -0.1786 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 20 1 0 0 0 0 2 3 2 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 M END