PUBCHEM-ZINC05963144 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 41 0 0 1 0 0 0 0 0999 V2000 -2.0950 0.3970 -3.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7390 -0.9920 -2.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -0.9150 -2.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8160 -1.5220 -1.7980 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9340 -0.8330 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1710 -1.6470 -2.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3070 -2.7370 -3.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 -2.8460 -1.2610 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7310 -3.6140 -1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8240 -3.0580 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 -2.1660 0.7260 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5690 -4.5340 0.2500 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4150 -5.1370 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -4.9880 -0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 -6.2780 0.0600 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -7.1140 -0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 -6.9070 -1.6990 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -8.3670 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 -8.8140 0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6710 -8.0670 0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7860 -6.8510 0.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6690 -8.9730 0.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9590 -8.3910 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 0.7830 -3.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 0.3670 -3.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2550 1.1140 -2.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6630 -1.6780 -3.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 -0.2930 -1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -1.9070 -1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -0.4820 -2.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 -5.0570 -1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -4.2850 -0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -6.5130 0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 -8.9520 0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 -9.7790 0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9600 -7.7610 -1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2590 -7.8150 0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6780 -9.2020 -0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9680 -0.6780 -2.4290 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4600 -4.7350 1.7200 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 -4.4470 2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 -4.0350 2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 39 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 40 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 M CHG 1 39 -1 M END