MMs00013381 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 42 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 0.0433 -1.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4561 -1.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0866 -2.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5427 -1.4561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2549 -0.1360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4677 1.1409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -0.0927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4664 1.2275 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0664 2.2667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9658 1.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7530 -0.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0408 -1.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8279 -2.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3273 -2.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0395 -1.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2524 0.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9646 1.3573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4639 1.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1157 -3.9233 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.6793 2.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3915 3.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1995 0.0346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0346 1.1995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5998 -0.0173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4734 -0.9429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6556 -1.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4388 -2.1424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5132 -3.0161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1212 -4.1983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2861 -2.9641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3840 -1.1142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7234 2.4460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0811 1.7135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8413 -1.3609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9571 -3.5813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2390 -1.2051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4986 0.2011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6634 1.4352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4293 2.6001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1799 2.4610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5502 3.4825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 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 32 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 2 0 0 0 0 15 36 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 18 19 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 41 42 1 0 0 0 0 M END