IBS-ZINC02153130 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 72 0 0 1 0 0 0 0 0999 V2000 -5.3920 -1.6060 -5.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0140 -1.7890 -6.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2740 -2.4120 -6.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8860 -2.6510 -7.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2520 -2.2690 -8.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0100 -1.6350 -8.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3760 -1.3660 -7.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1620 -0.7040 -7.6570 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0390 0.6290 -7.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7360 0.7680 -6.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 -1.1300 -7.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0230 -1.2820 -8.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 0.6240 -6.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 0.4290 -7.3830 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1710 -0.6350 -7.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 1.1740 -8.7120 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9310 0.6970 -9.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 2.5420 -8.2370 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7140 3.0970 -7.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0490 3.3710 -9.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 3.4790 -10.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 4.6840 -10.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 4.9090 -12.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 3.6300 -12.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 2.4790 -11.8190 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7760 2.8250 -11.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 2.1700 -10.9650 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0650 1.2850 -9.7110 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3360 0.2760 -10.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 1.7960 -9.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 2.7640 -9.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 1.4090 -11.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 1.2640 -12.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.2360 -7.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 1.0440 -6.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6820 0.5740 -5.6690 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3140 -1.7920 -5.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5780 -0.5940 -4.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8070 -2.3160 -4.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7810 -2.7280 -5.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8570 -3.1390 -7.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7250 -2.4540 -9.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5400 -1.3200 -9.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0440 1.3630 -7.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8860 0.8820 -6.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5690 1.8150 -6.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7410 0.1480 -5.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 -1.7340 -6.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8710 -1.4210 -8.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1760 -2.3490 -8.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9100 -0.7770 -9.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -0.0210 -5.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 1.6600 -6.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3550 4.3570 -9.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9610 2.9220 -9.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 5.5810 -10.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 5.3780 -11.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 5.6200 -12.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6490 3.8250 -13.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 3.3620 -13.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3160 1.2760 -11.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 0.4060 -12.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 1.9390 -12.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 0.9200 -13.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7360 0.4290 -11.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 1.5200 -13.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 0.3170 -7.1180 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5780 0.9200 -7.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 5 6 2 0 0 0 0 5 42 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 10 67 1 0 0 0 0 11 12 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 11 67 1 0 0 0 0 12 50 1 0 0 0 0 12 51 1 0 0 0 0 13 14 1 0 0 0 0 13 52 1 0 0 0 0 13 53 1 0 0 0 0 13 67 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 34 1 0 0 0 0 20 21 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 22 2 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 25 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 33 1 0 0 0 0 27 28 1 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 67 68 1 0 0 0 0 M CHG 1 67 1 M END