PUBCHEM-ZINC06545601 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 36 0 0 1 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.5850 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 1.7950 -1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 2.2560 -2.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 2.4880 -3.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 2.2560 -3.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 1.8230 -2.3220 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6970 2.9880 -4.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6980 4.8020 -4.6940 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 5.2640 -4.9760 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 5.2020 -6.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 6.3830 -7.4070 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3220 6.3760 -7.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2380 6.2640 -8.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 6.9140 -9.5420 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2590 2.4980 -2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 1.5530 -0.0090 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 1.4370 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 2.4340 -4.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1530 2.6240 -5.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7240 2.6240 -4.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 5.2590 -7.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 4.2680 -7.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 7.6700 -7.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6660 2.3300 -3.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7300 1.8120 -1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5170 4.0690 -1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 1.6720 -2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0830 5.4370 -9.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6450 7.6400 -6.9950 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 8.4370 -7.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5260 3.8820 -1.8630 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1030 4.0820 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 5.3950 -10.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 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 17 1 0 0 0 0 4 5 1 0 0 0 0 4 16 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 21 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 16 34 1 0 0 0 0 26 32 1 0 0 0 0 29 34 1 0 0 0 0 31 36 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 M CHG 1 7 1 M CHG 1 17 -1 M END