MMs00016935 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 -0.9489 -1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5667 -2.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8281 -3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9899 -2.4751 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4465 -1.0770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4404 -2.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8347 -4.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2852 -4.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3414 -3.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9471 -2.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4966 -1.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9129 -4.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8314 -3.1557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0011 -2.2166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3992 -2.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6276 -4.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0257 -4.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1954 -3.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9669 -2.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5688 -1.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1366 -1.4253 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1975 -0.2556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0757 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2541 -6.2685 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0845 -7.2075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6522 -6.8119 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9294 -0.7591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7591 0.9294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9294 0.7591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9897 -5.1565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6007 -5.8444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5018 -3.9272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7921 -1.3222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1812 -0.6343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9093 -5.5793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6919 -4.9938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3138 -4.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3404 -0.3384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3063 -0.4862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4248 -0.9209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2219 0.0963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 6 2 0 0 0 0 3 4 2 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 40 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 39 42 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END