IBS-ZINC05217788 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 -0.3360 1.7350 -0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 0.2170 -0.3110 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2080 -0.2260 -0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 -0.1120 0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 -1.6300 1.0800 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2560 -2.1030 1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 -2.1460 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -1.8060 -1.3620 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 -0.3520 -1.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -2.3720 -2.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 -3.2980 -3.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 -3.8390 -4.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 -3.4550 -4.6950 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0290 -2.5710 -3.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 -2.0310 -2.8740 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3120 -2.1970 -4.3120 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9360 -2.7770 -5.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 -4.7660 -5.1630 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8340 -3.6990 -2.8650 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7920 -3.0820 -3.2950 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 -4.6460 -2.1180 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5400 -1.9650 2.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 2.1780 -0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 1.9690 -1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 2.1400 0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 0.3630 0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 0.2530 1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4410 -1.6830 -0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -3.2280 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.1320 -2.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 0.1020 -1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7970 -1.5500 -3.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9380 -2.3650 -5.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -3.8590 -5.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3360 -2.5390 -6.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 -5.0410 -4.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -5.1390 -5.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 -1.5950 3.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6610 -3.0460 2.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5200 -1.4930 2.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 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 19 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END