IBS-ZINC04956188 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 62 0 0 1 0 0 0 0 0999 V2000 0.8280 1.5800 2.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 0.7300 1.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 0.3120 -0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -0.4320 -0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 -1.5320 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 -2.4400 1.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1610 -3.7870 0.9350 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -4.2230 0.6380 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1160 -4.0490 1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3820 -5.7090 0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 -6.0090 0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -4.7620 0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.6680 0.8240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3870 -7.0480 0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3850 -6.5780 0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6930 -6.1400 0.3730 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2270 -8.0120 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3380 -8.5120 -1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2010 -9.8800 -1.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9550 -10.7510 -0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8490 -10.2580 0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 -8.8910 1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0920 -3.4710 -0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 -3.5450 -1.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0160 -2.8250 -2.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1400 -2.0360 -2.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7670 -1.9520 -1.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2370 -2.6690 -0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8680 -1.1360 -1.4170 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6150 -1.1270 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6380 -1.3320 -3.7590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 0.9580 3.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5150 2.2880 2.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 2.1590 1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 1.3270 0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 0.1920 1.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 0.2840 -1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 1.3560 -0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 -0.4060 0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 0.0370 -1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -1.4790 -0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2430 -1.1800 -0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 -2.0780 -0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 -2.0310 1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 -2.5330 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2790 -6.9080 0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5220 -7.8410 -2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2810 -10.2660 -2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8430 -11.8150 -0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 -10.9400 1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8970 -8.5180 2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6150 -4.1620 -2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5570 -2.8810 -3.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6990 -2.6250 0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0280 -0.7010 0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9800 -2.1290 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4880 -0.4840 -0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4290 -0.8820 -3.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 -0.2980 0.7220 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0080 -0.6030 1.4560 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 35 1 0 0 0 0 2 36 1 0 0 0 0 2 59 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 59 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 5 59 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 20 21 2 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 58 1 0 0 0 0 59 60 1 0 0 0 0 M CHG 1 59 1 M END