IBS-ZINC05164436 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 65 0 0 1 0 0 0 0 0999 V2000 1.1070 1.5990 -0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 0.1430 -0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -0.4360 0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 -1.8010 1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 -2.6200 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 -2.0450 -1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 -0.6700 -1.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -2.8470 -2.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -4.0070 0.2550 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 -4.7490 1.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -4.3760 2.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -6.2180 1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 -7.0880 3.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 -7.6520 4.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 -8.9720 4.6880 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0810 -9.5550 6.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8850 -8.7680 6.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2370 -8.6070 6.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1130 -7.9970 4.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 -8.7940 4.0050 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5800 -9.7980 3.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -8.2120 2.5710 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3230 -8.8870 1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2970 -8.1340 1.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6910 -9.2290 1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -9.2080 0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7260 -8.0960 0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3680 -7.0060 1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -7.0250 1.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8880 -8.0770 -0.2380 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 -9.9090 3.9030 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1220 1.7360 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 2.0120 -1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1740 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 0.1700 1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 -2.1880 2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -0.2230 -2.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 -3.2810 -2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 -2.2280 -3.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 -3.6440 -2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 -4.4910 -0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 -6.3060 0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -6.7010 0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 -7.7440 2.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6480 -6.1000 3.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 -6.9030 5.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0150 -7.8170 5.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -9.6140 6.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 -10.5940 6.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 -7.7820 7.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 -9.2860 7.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8870 -7.9780 6.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -9.5870 6.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7940 -6.9520 4.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1160 -7.9840 4.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0590 -10.1120 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2030 -10.0520 -0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0350 -6.1520 1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 -6.1670 2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6850 -10.2910 4.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 -6.9160 2.6240 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6970 -6.2230 3.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 37 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 12 61 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 13 61 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 61 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 57 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 31 60 1 0 0 0 0 61 62 1 0 0 0 0 M CHG 1 61 1 M END