IFLAB-ZINC04061740 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 64 0 0 1 0 0 0 0 0999 V2000 0.4350 1.7450 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 0.2470 0.0330 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9130 0.0680 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -0.5090 1.1730 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9070 -0.2540 1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -1.9920 0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6620 -2.8170 0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 -4.1420 0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -4.3940 0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 -2.9030 1.2020 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2210 0.0470 2.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8370 0.3590 3.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 1.5700 4.2190 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 1.3900 4.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 1.0780 3.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8020 1.9280 5.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 3.0490 6.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 3.4010 7.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9670 2.6360 7.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4160 1.5160 7.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8390 1.1660 5.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5390 2.9840 9.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5960 2.1500 9.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.2240 -1.2510 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -0.1110 -2.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 0.3800 -2.3080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 -0.5950 -3.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 -0.3520 -4.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 0.1680 -4.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 -2.0910 -3.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 1.9020 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 2.2520 -0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 2.1480 0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 -2.4760 0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9700 -4.9130 0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 -5.3660 0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 -0.8670 1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 0.8720 1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9090 0.5210 3.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6660 -0.4790 4.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 2.3040 4.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 0.5640 5.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 1.9150 2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 0.9160 3.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 3.6440 5.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5860 4.2730 7.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2190 0.9200 7.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1920 0.2960 5.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9630 2.5390 10.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4090 2.1410 8.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2240 1.1360 9.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5740 -0.6160 -1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 0.7140 -4.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -0.7020 -5.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 -0.8950 -4.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 -0.0050 -3.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 -0.1820 -4.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5480 1.2340 -4.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -2.6340 -3.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 -2.4410 -4.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -2.2640 -2.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -0.1330 2.4510 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 24 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 62 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 11 62 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 62 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 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 29 1 0 0 0 0 27 30 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 M END