IBS-ZINC05184606 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 -0.0160 1.1110 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -0.4080 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 -0.7720 -1.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 -1.0480 -1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 -2.5380 -0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -0.8550 -2.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -0.6020 -2.3340 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0560 -0.6720 -3.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 -1.0160 -4.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 -1.2740 -4.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -1.1800 -3.4400 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -1.6200 -5.7570 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6690 -0.6230 -6.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 -0.9590 -7.4300 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0770 -0.2270 -7.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9240 -2.3570 -7.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 -3.3700 -6.9800 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0700 -3.3860 -7.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -2.9640 -5.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4660 -4.7610 -6.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 -0.9270 -8.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1610 -1.1040 -5.9170 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2720 -0.1220 -6.6280 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6660 -2.1600 -6.2540 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.4170 -0.4060 -3.4530 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 1.4510 0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 1.5840 -0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 1.3820 1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -0.8810 0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0800 -0.7480 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5270 -0.7790 -2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 -0.4620 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 -2.7430 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8810 -2.8070 0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -3.1240 -1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 0.3660 -6.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 -0.6320 -5.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3390 -2.6180 -8.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7160 -2.3690 -6.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 -2.9620 -4.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 -3.6760 -5.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2370 -4.7450 -6.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 -5.4820 -6.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9100 -5.0480 -7.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 0.0680 -8.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6810 -1.1660 -9.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 -1.6600 -8.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8600 -0.1670 -2.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9250 -0.4580 -4.2770 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 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END