PUBCHEM-ZINC05929607 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 1 0 0 0 0 0999 V2000 1.1090 0.6400 -1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -0.6990 -0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -0.8110 0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -2.0560 1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -3.1950 0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 -3.1060 -0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -1.8570 -1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 -4.7740 0.9960 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -5.8090 0.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 -4.7160 2.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2580 -4.7770 0.6120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7760 -4.7080 -0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -4.7420 -1.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1270 -4.5460 -0.6830 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9630 -4.4310 -1.8880 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3660 -3.9820 -2.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5630 -5.7770 -2.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5330 -6.7970 -2.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8780 -6.8870 -3.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9830 -7.9190 -3.8430 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 -8.1920 -4.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0580 -8.5330 -2.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0240 -7.8510 -1.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2860 -8.2790 -0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5780 -9.3650 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 -10.0240 -0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3410 -9.6210 -2.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2140 -3.5630 -1.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5060 -3.4850 -0.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 0.8460 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 0.6720 -2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 1.4350 -0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 0.0750 1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 -2.1230 2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -3.9920 -1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 -1.7920 -2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 -4.6970 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6590 -4.4570 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1960 -6.1860 -1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2300 -5.6310 -3.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9570 -6.2840 -4.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0260 -7.7660 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7760 -9.6910 0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 -10.8610 -0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 -10.1280 -2.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7720 -3.0470 -2.6040 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 28 29 2 0 0 0 0 28 46 1 0 0 0 0 M CHG 1 46 -1 M END