IFLAB-ZINC02692454 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 0.6050 0.8020 0.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -0.6970 0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -1.0110 -0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 -1.2360 -1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9870 -1.4990 -2.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 -1.5440 -3.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 -1.3270 -3.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -1.0510 -1.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 -1.3830 -4.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 -1.6280 -5.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 -1.8100 -5.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 -1.7150 -7.1670 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 -0.5800 -7.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 -1.8970 -8.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4090 -3.1860 -7.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6470 -3.1540 -7.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4410 -4.3010 -7.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 -5.4660 -7.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 -5.4920 -6.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 -4.3520 -6.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 -1.1770 -4.2430 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 0.1900 -4.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4310 0.2260 -4.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7680 -2.1670 -4.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 -2.2660 -3.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7450 -0.6540 -4.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 1.2570 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 1.3030 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 1.0000 1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 -1.1760 1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 -1.1330 0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2380 -1.2030 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -1.6670 -2.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 -0.8510 -1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 -1.9960 -6.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 -2.2530 -8.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4020 -4.2910 -8.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6120 -6.3620 -7.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 -6.4100 -6.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -4.4010 -6.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 0.6520 -3.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 0.8110 -5.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8650 1.2230 -4.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4880 -0.0560 -5.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8190 -2.4050 -5.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4310 -2.8390 -3.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 -3.2430 -4.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 -2.2310 -2.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8340 -0.9080 -5.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0760 0.3710 -4.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3180 -1.3480 -3.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6640 -1.7850 -4.6550 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3040 -0.7560 -4.1350 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.2460 -0.5110 -3.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 52 2 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 35 1 0 0 0 0 11 52 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 53 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 53 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END