IBS-ZINC00517604 MOE2007 3D Structure written by MMmdl. 31 33 0 0 0 0 0 0 0 0999 V2000 -0.1820 1.7870 -1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 1.0770 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 1.7460 1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 3.1270 1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 3.8420 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 3.1680 -1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 5.2010 0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1210 5.8550 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 5.1650 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4760 5.7580 0.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 7.0940 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8720 7.6760 0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9850 9.0510 0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8480 9.8560 0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6040 9.2990 0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4740 7.9140 0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 7.2740 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 7.9320 0.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2140 9.6190 0.6160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 0.9820 2.4050 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3340 -0.2360 2.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4490 1.5710 3.4630 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.3020 1.2620 -2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -0.0030 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 3.6500 2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 3.7220 -2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 4.0890 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7580 7.0590 0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9510 10.9280 0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 9.9270 0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6020 9.8560 -0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 19 31 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END