MMs01886674 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 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 1.5000 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2518 1.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7518 1.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7482 -1.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2482 -1.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7518 1.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0036 2.5896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2518 1.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0036 2.5854 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.6036 1.5462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3955 3.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9287 4.2705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5116 4.9587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8096 4.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1807 4.8151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3930 3.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8203 4.3932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7002 3.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8169 1.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3909 2.4317 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.4956 2.7401 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.3569 6.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9874 7.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8327 8.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0017 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0017 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6533 2.3359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3533 2.3322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3467 -2.3444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6467 -2.3406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5985 -1.0485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0418 0.1060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3789 0.8754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9002 3.1768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1861 0.8244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5539 6.3653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6488 7.6147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0156 6.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8046 9.2587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7372 9.0444 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 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 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 17 18 2 0 0 0 0 17 24 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 M END