PUBCHEM-ZINC04458973 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 0.0140 1.4760 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -0.0500 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -0.5520 0.1330 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9000 -0.0520 0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4150 -2.0400 0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -2.8040 -0.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -2.5220 1.6200 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 -3.9690 1.8510 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9410 -4.4510 1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6710 -4.2530 3.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5020 -5.3240 3.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8900 -5.5840 4.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 -4.7750 5.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 -3.7050 5.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 -3.4470 4.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -4.5050 1.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 -3.7560 1.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 -5.8150 1.7790 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -6.2620 1.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3460 -0.1890 -1.3820 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9750 -0.6090 -0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9930 -0.3960 -1.6780 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2360 -0.7010 -1.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4590 -1.2490 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3650 -1.4580 0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1490 -1.1340 0.3470 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5400 -2.0020 2.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2960 -0.4740 -2.1800 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 1.8400 -0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 1.7790 -1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 1.8970 0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 -0.4740 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -0.3570 0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1490 -1.9110 2.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8490 -5.9560 2.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 -6.4200 5.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7490 -4.9780 6.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 -3.0720 6.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 -2.6130 4.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0370 -6.0290 0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 -5.7530 2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 -7.3380 1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4580 -1.5060 0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4290 -2.2390 2.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7730 -2.1450 2.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1330 -0.0920 -3.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2000 -0.6990 -1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 20 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 34 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 15 2 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 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 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 M END