IFLAB-ZINC04279130 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 51 0 0 1 0 0 0 0 0999 V2000 0.0830 1.0560 -0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 -0.4450 -0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 -0.8720 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2580 -1.2180 -1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5900 -1.5970 -1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1620 -1.6330 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3860 -1.2800 1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -0.9000 1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4720 -2.0280 0.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1220 -2.0310 1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5590 -2.5090 1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5460 -3.9130 0.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8550 -4.4170 0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6890 -5.9050 0.3820 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.2440 -6.4160 1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9960 -6.5780 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6490 -8.5550 -1.5230 C 0 0 3 0 0 0 0 0 0 0 0 0 -11.6010 -8.4700 -0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7340 -7.8570 -2.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2730 -10.0330 -1.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3750 -10.8510 -0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7660 -6.0810 -0.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0420 -5.4410 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 1.3360 -0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 1.3780 -1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 1.6120 0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 -0.9760 -1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 -0.7450 0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8370 -1.1920 -2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1880 -1.8650 -2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7840 -1.2870 2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 -0.6260 1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6020 -2.7150 2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1370 -1.0140 1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1360 -2.3400 2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0250 -1.9760 0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5120 -4.2580 1.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2550 -3.8950 -0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6520 -6.8000 0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5260 -5.9820 -0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4770 -8.3480 -3.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0370 -6.8100 -2.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7730 -7.8810 -3.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9490 -10.4850 -2.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2580 -10.1230 -2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1980 -11.9100 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6360 -10.5420 0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3720 -10.7620 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6080 -7.8760 -0.6870 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.7660 -7.6250 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2440 -8.5050 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 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 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 49 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 17 49 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 M CHG 1 49 1 M END