OTAVA-ZINC05551942 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 -0.0060 1.9670 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 0.4770 -0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -0.0890 0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -1.5920 0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 -2.1920 2.2070 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5030 -1.6760 2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9990 -3.6790 2.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2010 -4.2400 3.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 -1.9190 3.3810 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1210 -1.0400 4.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 -0.3900 4.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -0.9490 5.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -0.2030 6.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 -0.0950 7.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 -0.8350 8.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 -0.7620 9.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2380 0.0550 9.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5080 0.7970 8.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6590 0.7280 7.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6980 1.6540 8.7140 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.3720 1.7670 9.7490 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9580 2.2170 7.6410 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2250 -1.9250 5.1360 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 -2.4940 3.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4450 -3.5540 2.6490 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8850 2.5220 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 2.3510 -1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 2.1690 0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 -0.0440 -0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 0.3070 -1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 0.4360 1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 0.0980 1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -2.1130 0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7550 -1.7560 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 0.3580 6.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -1.4840 8.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 -1.3470 10.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8910 0.0950 10.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 1.2970 6.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1320 -4.1510 0.9530 O 0 5 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 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 40 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M CHG 1 40 -1 M END