PUBCHEM-ZINC01139597 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 0 0 0 0 0 0999 V2000 -1.3460 -2.0040 -3.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -1.6580 -3.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 -0.1640 -2.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 0.6680 -3.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 2.0400 -3.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 2.5840 -2.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 1.7580 -1.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 0.3800 -2.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9730 -0.4580 -1.4330 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2260 -0.8690 -2.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2860 0.1700 -1.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0540 1.1020 -1.0740 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4930 0.0630 -2.4040 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4730 1.0390 -2.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4900 1.7430 -0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4580 2.7050 -0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4090 2.9690 -1.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3970 2.2710 -2.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4350 1.3010 -3.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4260 0.6100 -4.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4430 0.9320 -5.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4750 3.4560 0.5130 N 0 3 0 0 0 0 0 0 0 0 0 0 6.6380 3.2250 1.3670 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3270 4.3040 0.7090 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6100 -0.9880 0.0930 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5690 0.1680 0.9190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -1.8860 -0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9780 -1.9490 0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6850 -1.5590 1.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7570 -2.3130 2.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1230 -3.4570 1.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4160 -3.8470 0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 -3.0960 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 -1.6200 -4.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 -3.0870 -3.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1600 -1.5530 -3.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.1300 -2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 -2.0220 -3.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 0.2460 -4.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 2.6870 -3.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 3.6560 -2.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9550 2.1840 -1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5470 -1.8260 -1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0700 -0.9700 -3.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6840 -0.6900 -2.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7480 1.5400 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1620 3.7220 -1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1420 2.4800 -3.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3600 1.9820 -5.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4230 0.7490 -4.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3210 0.3090 -6.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3990 -0.6650 2.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -2.0080 3.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9620 -4.0460 1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7020 -4.7410 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7850 -3.4020 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 7 2 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 0 0 0 0 17 18 2 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 26 2 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 31 32 2 0 0 0 0 31 54 1 0 0 0 0 32 33 1 0 0 0 0 32 55 1 0 0 0 0 33 56 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END