PUBCHEM-ZINC02993602 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 1.1690 -1.3470 -3.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -1.8110 -2.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 -2.4060 -2.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 -2.8710 -1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4190 -3.4360 -1.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9410 -3.8940 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 -3.8240 1.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3230 -4.4940 0.0140 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9060 -4.1000 -0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2280 -6.0210 -0.0930 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.2220 -6.4360 -0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6770 -6.5640 1.1480 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8800 -5.9840 2.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4500 -6.5300 3.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5410 -4.8200 2.4710 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0130 -4.1680 1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0120 -3.3090 1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3300 -6.3890 -1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 -6.6700 -2.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7320 -6.9810 -3.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -6.9540 -2.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 -6.5070 -1.1660 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 -7.2480 -3.6150 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3140 -7.5440 -4.7950 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 -7.1940 -3.0520 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1720 -0.9220 -3.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 -2.1970 -4.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -0.5900 -4.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 -2.5670 -2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -0.9610 -1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -1.6500 -2.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 -3.2560 -3.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3850 -3.6270 -0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0800 -2.0210 -0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1450 -7.3740 1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6900 -4.4360 3.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3560 -2.8210 0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4870 -3.0940 2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7840 -6.6560 -2.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9260 -7.2280 -4.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END