PUBCHEM-ZINC05966569 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 0 0 0 0 0 0999 V2000 0.7810 3.4480 0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 1.9410 0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 -0.0730 -0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8760 -0.1330 -0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 1.5390 -1.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 1.6110 -3.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 1.7910 -4.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 2.0300 -4.0410 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 2.1000 -5.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0250 2.3240 -5.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4530 2.3380 -6.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5410 2.1120 -7.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 1.8990 -7.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 1.9010 -6.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 1.7210 -5.6870 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 1.4930 -6.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8480 2.5270 -7.1320 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3830 3.7090 -8.2250 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.7870 3.4900 -9.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8210 3.7990 -8.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6880 5.1960 -7.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5150 5.7250 -8.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9920 6.9080 -7.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6460 7.5580 -6.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8260 7.0310 -5.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3560 5.8490 -6.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8170 3.7140 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 3.9530 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 3.8450 1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 1.4880 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 1.6500 0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 -0.5320 -1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -0.5900 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2120 -1.1740 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5160 0.4030 -1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0340 0.2970 0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 2.4670 -1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 0.7010 -1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 2.4550 -3.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 0.7010 -3.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7150 2.4790 -4.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8760 2.0750 -8.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4860 1.7240 -8.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 0.4170 -6.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 1.8800 -7.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 2.0160 -5.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4940 2.3590 -6.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0050 5.2340 -8.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0810 7.3310 -7.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2420 8.4860 -6.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3400 7.5520 -5.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2860 5.4580 -6.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 1.3740 -0.8840 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7570 1.9270 -1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 53 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 53 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 8 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END