MMs00031133 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 55 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 0.7387 -1.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0225 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7162 -3.9035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2161 -3.9165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9773 -2.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2386 -1.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -0.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4998 -0.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2385 -1.3445 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8385 -2.3838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4773 -2.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7385 -1.3576 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9385 -1.3576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4772 -2.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4997 -0.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7610 1.2404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9997 -0.0781 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7609 1.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2608 1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0221 2.4939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5220 2.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9548 -5.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0451 -5.1960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 -5.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3063 -6.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5676 -7.7809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0444 0.5910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 1.0444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0444 -0.5910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2225 -2.5876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8759 0.3942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2185 1.1539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3017 1.1445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6310 0.3616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2587 -3.8169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6013 -3.0572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4328 -3.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0681 -3.7075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5216 -2.0721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5906 -1.1225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6369 1.6346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9795 2.3943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0422 0.0215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3849 0.7812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5116 1.2809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7220 2.4704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5324 3.6808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9104 -5.8129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5458 -6.2664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9992 -4.6310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3264 -4.0030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6691 -4.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8062 -6.4624 0.0000 O 0 5 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 24 1 0 0 0 0 5 6 2 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 26 54 1 0 0 0 0 M CHG 1 54 -1 M END