IFLAB-ZINC01859050 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 0 0 0 0 0 0999 V2000 0.6800 1.7950 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4230 0.7220 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0710 -0.5100 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 -0.3510 1.2960 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 1.3490 1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -1.8320 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7780 -2.2300 -0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0310 -1.4660 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1030 -0.2850 0.2050 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1360 -2.2750 -0.3430 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8930 -3.5990 -0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9900 -4.8080 -0.9900 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -3.8800 -0.6440 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4640 -1.6750 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9070 -1.6860 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4840 -2.5240 2.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8410 -0.6920 1.4990 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4820 -0.4250 2.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3850 0.6450 2.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0600 0.9790 3.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8490 0.2510 5.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9440 -0.8190 5.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2660 -1.1540 3.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5790 0.6110 6.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3640 1.6090 6.3250 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8100 2.8380 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 0.8580 -1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 1.9390 1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 -2.5790 -0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2050 -2.2220 -0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -0.6440 -0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1000 -0.0770 0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5770 1.2380 1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7590 1.8150 3.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7630 -1.4000 5.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5770 -1.9910 3.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3580 -0.1100 7.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 24 25 1 0 0 0 0 24 37 2 0 0 0 0 M CHG 1 25 -1 M END