IBS-ZINC02160768 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 -0.8990 1.8730 2.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 0.5250 1.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 0.3510 0.2010 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1190 0.4890 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6600 1.4450 -0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 -1.0600 -0.3240 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4570 -1.0360 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 -1.4040 -1.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 -0.6250 -2.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2380 -2.6170 -2.2150 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 -3.1550 -3.5370 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0380 -2.3560 -4.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 -3.6420 -3.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 -4.3730 -3.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4210 -4.8610 -2.9190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 -2.1810 0.5880 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 -2.3820 0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -1.7090 0.5320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 -3.4740 1.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8820 -3.7210 2.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 -4.7560 3.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 -5.5430 3.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -5.2980 3.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 -4.2570 2.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 -3.9940 1.8980 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5380 -4.5700 2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 -2.9790 1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2710 -2.8180 0.7250 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 1.8740 3.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 2.0790 2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 2.6900 1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 -0.2440 2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3870 0.3830 1.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 2.4380 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 1.3100 -1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7410 1.4470 -0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8610 -3.2300 -1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -4.4340 -2.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -4.0420 -4.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 -2.8280 -3.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 -3.1140 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1270 -4.9490 3.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 -6.3500 4.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 -5.9220 3.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7830 -4.7140 -5.1210 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 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 34 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 16 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 37 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 2 0 0 0 0 14 45 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 M CHG 1 45 -1 M END