IBS-ZINC04956903 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 1 0 0 0 0 0999 V2000 -0.6840 1.9470 -0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 0.4990 -0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 -0.3390 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 -1.7990 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 -2.6660 0.2530 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2740 -2.1740 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2940 -4.0920 0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3520 -4.7550 1.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 -2.9400 -1.3440 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.0680 -3.3390 -0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0650 -2.7920 -1.4860 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.3760 -3.0390 -1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7050 -3.8850 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6230 -4.4920 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3210 -4.1610 0.1560 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7770 -5.2210 1.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1130 -4.2500 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4940 -5.6470 -0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5840 -6.6920 0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9000 -7.9860 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1210 -8.2480 -1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0350 -7.2170 -2.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7260 -5.9220 -1.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0460 -2.3710 -2.0250 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2430 2.5280 -0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 2.0210 -1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 2.4050 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 0.0810 -1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 0.4640 0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 0.0840 0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1810 -0.2830 -1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 -2.2290 -0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 -1.8080 1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9020 -2.1580 -2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2370 -4.1490 1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8420 -3.5480 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3890 -6.5080 1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9660 -8.7910 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3570 -9.2570 -1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2050 -7.4200 -3.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6490 -5.1250 -2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4820 -4.5750 0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 -4.4360 0.8790 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 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 43 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 42 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 M CHG 1 11 1 M CHG 1 24 -1 M CHG 1 43 -1 M END