IFLAB-ZINC02457108 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 43 0 0 1 0 0 0 0 0999 V2000 0.3360 1.3730 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -0.1400 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 -0.6560 0.3630 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8220 -0.0270 1.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 1.4950 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 3.5830 1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 4.0400 1.7640 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6950 3.8820 1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 5.4900 2.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 5.9680 2.9870 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 4.8390 3.9020 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 6.0220 1.8530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 3.1410 2.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6220 3.5790 3.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4450 -1.6400 -0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 -2.1100 -1.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8910 -2.0890 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2870 -3.1190 -1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7570 -3.4960 -1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1050 -4.4970 -2.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6220 -5.6530 -2.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3510 1.7790 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 1.6250 -0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 -0.6300 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 -0.3770 1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8370 -0.4250 1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 -0.2720 2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 1.7650 0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3570 1.9720 2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3430 3.9460 1.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 3.8840 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 6.1750 1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 5.6010 2.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0300 -2.5180 0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5350 -1.2090 -0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0960 -2.7170 -2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6540 -4.0100 -1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9570 -3.9510 -0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3930 -2.6070 -1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 2.0630 1.1160 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0250 1.9260 2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 7.2450 3.6140 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.8430 -4.0470 -3.3300 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 40 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 1 0 0 0 0 3 15 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 28 1 0 0 0 0 5 29 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 42 1 0 0 0 0 13 14 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 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 40 1 M CHG 1 42 -1 M CHG 1 43 -1 M END