MMs01793212 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 44 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 0.7532 -1.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2532 -1.2934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0065 -2.5906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2597 -3.8915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5065 -2.5868 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9065 -1.5476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2597 -3.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5130 -5.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2662 -6.4820 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5195 -7.7829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2532 -1.2859 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7532 -1.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5065 -2.5793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 0.0225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7467 1.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9935 2.6206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2467 1.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9935 2.6281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4935 2.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2467 1.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5000 0.0338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0000 0.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2402 3.9328 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0377 0.6026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6026 1.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0377 -0.6026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3734 -1.7104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9646 -2.4784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1771 -3.1103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1809 -4.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5918 -4.4158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5957 -5.9585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4788 -7.1855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9221 -8.8237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5602 -8.3803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6506 -0.2482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3713 0.4264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7054 1.2011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6026 -1.0152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3909 3.6658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4467 1.3377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4026 -1.0107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 19 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 42 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 24 44 1 0 0 0 0 M END