PUBCHEM-ZINC03870218 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 39 0 0 1 0 0 0 0 0999 V2000 0.0360 1.5690 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 0.0490 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 -0.3650 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 0.3990 0.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7810 -1.6880 -0.1190 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0920 -2.3380 -0.1590 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7850 -1.8130 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6590 -2.4500 -1.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1640 -0.8480 -2.2940 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.6470 -1.4170 -3.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6270 -2.4370 -3.8780 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8800 -3.7680 0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -4.3200 0.3210 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 -4.3860 0.7870 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0900 -5.7760 1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5370 -6.2370 1.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4000 -5.3100 1.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 2.0000 0.0330 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9710 1.5270 -0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.5370 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5740 3.8770 0.7850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 2.0130 -0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3850 1.9690 1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 -0.3430 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3920 -0.4240 0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 -2.2810 -0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9110 -2.9010 -2.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5370 -3.1040 -1.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0570 -0.5700 -4.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7680 -1.7930 -4.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8730 -2.6500 -4.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9390 -3.9220 0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6310 -6.4040 0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4990 -5.8580 2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6780 -7.4630 1.7620 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0220 4.1700 -0.9250 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2860 1.5760 1.2490 N 0 3 0 0 0 0 0 0 0 0 0 0 2.9910 0.8540 1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7390 1.4130 2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7940 2.5050 1.4230 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 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 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 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 37 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 M CHG 1 35 -1 M CHG 1 36 -1 M CHG 1 37 1 M END