IBS-ZINC02083414 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 51 0 0 1 0 0 0 0 0999 V2000 -0.7640 0.8720 -0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 -0.5830 -0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -1.2720 0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4840 -1.3510 -1.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -0.6710 -1.6730 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 -0.0960 -1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2590 0.5360 -0.4140 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7890 -0.3210 -2.4770 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 -0.8630 -3.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1720 0.1290 -2.5730 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6030 0.0630 -1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2810 1.5480 -3.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8990 2.6240 -2.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2730 4.2730 -2.8200 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6890 5.2730 -1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8770 -0.8600 -3.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2030 -1.4880 -4.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2570 -0.9840 -3.4320 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9510 -1.9370 -4.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6940 -2.9670 -3.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6320 -2.3010 -2.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8820 -1.2370 -1.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1400 -0.2590 -2.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3010 -3.3240 -1.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2870 -4.5240 -1.8820 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 1.4530 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 1.3720 -1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6880 0.9310 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 -1.3490 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 -2.2810 0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -0.7300 1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7420 -0.9080 -2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 -2.3890 -1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 -1.3570 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 1.7210 -3.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6450 1.6310 -4.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8280 2.5840 -1.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4600 2.4920 -1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 5.1020 -1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2520 5.0310 -0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8390 6.3310 -1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2550 -2.4480 -4.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6530 -1.3720 -4.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9620 -3.5930 -2.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2620 -3.6320 -4.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4440 -1.8090 -2.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1660 -1.7270 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5790 -0.6740 -0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 0.3100 -3.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 0.4650 -1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8260 -2.8410 -0.4460 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 51 1 0 0 0 0 M CHG 1 51 -1 M END