IBS-ZINC04981687 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 -0.8630 -0.2720 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 0.1310 2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 2.0280 0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 2.4710 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3250 3.9950 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1810 4.4290 -1.2220 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5060 5.0160 -1.0240 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3680 5.8770 -0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8920 5.5030 -2.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9060 4.9510 -3.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 4.3370 -2.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7890 3.8660 -3.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9340 4.9360 -4.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8970 6.3290 -2.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7330 6.8110 -1.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1880 6.8190 -4.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2180 6.2460 -4.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4910 6.7230 -6.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7400 7.7740 -6.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7130 8.3550 -5.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4470 7.8790 -4.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9080 9.3850 -6.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0570 9.8290 -7.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4910 4.0240 -0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1640 4.3410 0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0780 3.4480 1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3320 2.2260 0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6740 1.9090 -0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7650 2.7900 -1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9120 0.7300 -1.0590 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 -1.3310 0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 0.0360 -0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6250 -0.0950 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 0.3880 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 -0.9460 2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 0.6700 3.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 2.2800 0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 2.4980 1.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 2.0090 -0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2720 2.1300 0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6440 4.4860 0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 4.3420 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3820 7.4100 -2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8060 5.4230 -4.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2880 6.2730 -6.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9830 8.1140 -7.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6470 8.3380 -4.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3130 10.6120 -7.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8640 9.0190 -8.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0470 10.2690 -7.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9910 5.2960 1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5940 3.7120 2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0400 1.5250 1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2780 2.4950 -1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 0.5270 1.1730 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1760 0.2750 1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 55 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 55 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 55 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 43 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 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 54 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END