IBS-ZINC06664103 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 63 0 0 1 0 0 0 0 0999 V2000 0.5030 1.3610 0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 0.0630 0.0710 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3320 0.2240 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -0.5640 -1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 -1.4690 -1.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -0.0750 -2.4570 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -0.6810 -3.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 0.3740 -4.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 1.5710 -4.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 2.1010 -3.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 0.9960 -2.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 2.6600 -5.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 2.9590 -6.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 3.9790 -7.2880 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 4.4530 -8.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7830 4.2480 -6.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 3.4650 -5.1600 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 2.3030 -7.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 0.9570 -7.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -0.9160 1.1200 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 -0.8780 2.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 -0.0730 2.6660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 -1.9050 3.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 -2.4280 3.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -3.3900 4.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5760 -3.8340 5.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 -4.7990 6.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -5.2260 7.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 -4.6930 7.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 -3.7330 6.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 -3.2940 5.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 -2.3280 4.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 1.1830 0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 2.1000 -0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 1.8080 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 -1.4490 -3.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 -1.1910 -4.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6710 0.7420 -4.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 -0.0940 -5.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 2.6030 -2.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 2.8640 -3.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 0.5500 -3.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 1.4270 -1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 5.0210 -6.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 2.9520 -7.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4380 2.1340 -8.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 0.5920 -7.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 0.1910 -7.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -1.6440 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 -2.0890 2.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 -3.7850 4.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9220 -5.2280 6.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -5.9730 7.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0170 -5.0250 7.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 -3.3290 6.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 -1.9030 4.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 1.1060 -5.6840 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8430 0.2300 -5.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 1.8130 -5.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 20 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 57 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 57 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 32 2 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 30 2 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 31 32 1 0 0 0 0 32 56 1 0 0 0 0 57 58 1 0 0 0 0 57 59 1 0 0 0 0 M CHG 1 57 1 M END