IBS-ZINC05034728 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 -5.4170 -0.6310 2.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5490 -1.8210 2.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5330 -1.4980 1.2510 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0890 -1.0570 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4900 -0.4620 1.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8580 -2.7680 0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0450 -3.1920 -0.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4310 -4.3590 -1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 -5.1450 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -4.7100 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0430 -3.5430 1.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -6.3590 -0.7000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 -6.7140 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 -5.9410 0.4680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -8.0770 -0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 -8.7340 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 -8.3220 1.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 -8.0900 2.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 -7.7680 3.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7780 -7.6830 3.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4770 -7.9260 2.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7930 -8.2450 1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5140 -7.3440 5.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8050 -7.1090 6.1230 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2000 -8.7980 -1.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -9.8230 -2.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 -8.2370 -2.1250 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 -7.1140 -1.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7140 -6.8950 -2.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8250 0.1620 3.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9310 -0.2160 1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1770 -0.9440 3.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0360 -2.1920 3.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2110 -2.6300 2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7410 -0.3070 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9560 0.5070 1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9610 -0.7730 2.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6670 -2.6150 -1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5920 -4.6090 -2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 -5.2790 1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8690 -3.2550 2.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 -9.7220 -0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -8.1640 2.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8150 -7.5870 4.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5640 -7.8680 2.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3640 -8.4350 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 -8.7270 -2.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 -7.3210 5.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 48 2 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 M CHG 1 24 -1 M END