PUBCHEM-ZINC02472294 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 0.6100 0.3190 1.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -0.5810 0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8330 -1.1410 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0270 -0.7910 0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0080 0.0980 1.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7970 0.6550 2.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2910 -1.4080 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2620 -2.5540 -0.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 -0.5830 0.3890 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7130 -0.9550 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6650 -0.0080 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1140 -0.1530 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7590 0.7470 -0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1470 0.7130 -1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9000 -0.2290 -0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2770 -1.1340 0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8880 -1.0830 0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3550 -0.2580 -0.5980 N 0 3 0 0 0 0 0 0 0 0 0 0 13.9040 0.7540 -1.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9470 -1.2920 -0.2610 O 0 5 0 0 0 0 0 0 0 0 0 0 7.0720 -2.4010 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0990 -3.1200 0.9680 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3990 -2.7330 -1.3280 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8370 -3.9890 -1.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1780 -4.0730 -3.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6420 -5.2730 -3.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7620 -6.3950 -2.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4110 -6.3380 -1.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9550 -5.1320 -1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3590 -7.9530 -3.6020 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6690 -8.9530 -2.7920 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9060 -7.8760 -4.9890 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9410 -7.9280 -3.4190 N 0 5 0 0 0 0 0 0 0 0 0 0 11.1050 -7.9180 -2.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 0.7510 2.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 -0.8490 0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -1.8470 -0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9130 0.3460 2.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7760 1.3430 3.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 0.3950 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3670 1.0330 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1850 1.4940 -1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6160 1.4240 -1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8480 -1.8760 0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4270 -1.7760 1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3230 -1.9960 -2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0960 -3.2060 -3.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9140 -5.3250 -4.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4950 -7.2210 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6930 -5.1180 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 14 15 2 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 30 31 2 0 0 0 0 30 32 2 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M CHG 1 33 -1 M END