OTAVA-ZINC05284595 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 -0.1180 1.4070 0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -0.0970 0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9150 -0.7630 1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 -0.6980 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 -2.1540 -0.0870 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0250 -2.7670 0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0480 -2.7560 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2820 -3.7890 -0.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0780 -2.3810 -1.4600 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -3.2230 -1.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -3.7590 -0.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -3.3980 -3.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 -4.2020 -3.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7160 -4.4550 -4.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 -3.9520 -5.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3110 -4.1890 -6.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 -4.9360 -7.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 -5.4440 -7.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 -5.2110 -5.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4110 -6.2270 -7.8830 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8590 -6.5690 -8.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -6.4990 -7.4680 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6920 -2.4450 -4.0140 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6100 -1.8540 -2.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8970 -0.8130 -2.8490 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 1.8570 0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 1.9160 -0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4930 1.6070 1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -0.2200 -0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 -1.8250 1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9040 -0.2960 1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 -0.6730 2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 -0.6450 1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 -0.0550 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9340 -4.7350 -2.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5790 -3.3650 -4.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2520 -3.7880 -7.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8040 -5.1050 -8.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 -5.6090 -5.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7970 -2.1680 0.9260 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 4 1 0 0 0 0 2 29 1 0 0 0 0 3 30 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