IBS-ZINC02130211 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 -0.2620 1.8830 -0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 0.4670 -0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 0.0720 0.9500 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8890 0.8260 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -1.2460 0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -0.0710 2.2280 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6080 -0.7300 1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 -0.7390 3.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 -0.1330 4.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -2.0680 3.5710 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 -2.9250 4.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8190 -4.3920 4.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -4.6010 3.5150 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 1.1870 2.7690 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 2.3040 2.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 3.4470 3.4000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 3.5570 3.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7730 4.7770 4.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1110 4.9200 4.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9870 3.8410 4.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5270 2.6190 4.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 2.4860 3.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 1.2100 3.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 0.2560 3.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 2.6130 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 2.1320 -1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 1.9950 0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 -0.2410 -0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 0.3740 -1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 -1.1580 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -1.5130 1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 -2.0720 0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -2.5690 2.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 -2.8660 4.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 -2.5260 5.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 2.1780 2.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0920 5.6200 4.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4660 5.8740 4.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0270 3.9520 4.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2090 1.7760 3.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 -5.1910 5.3170 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 41 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 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 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 M CHG 1 41 -1 M END