IBS-ZINC05165018 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 0 0 0 0 0 0 0 0999 V2000 1.1580 0.3250 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 -1.0560 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 -2.4760 -0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8570 -2.4760 -0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7040 -1.7110 0.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2720 -0.3490 0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 -0.3250 0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8970 -2.2770 0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4740 -2.1600 1.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7080 -2.7410 1.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3310 -3.4450 0.9780 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7250 -3.5640 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5390 -3.0050 -0.4930 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2950 -4.2860 -1.2260 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5620 -4.9620 -1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9060 -5.6790 -2.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2380 -6.4130 -2.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4760 -7.0550 -3.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7070 -7.7650 -3.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3690 -2.6740 3.1430 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7570 -1.5870 2.8010 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.3050 -0.6620 3.4170 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6400 -2.0540 3.0630 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2350 0.2760 0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 0.7240 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 1.0350 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0710 -1.7520 -0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 -1.4290 1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3030 -3.0090 0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7480 -2.9320 -1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9170 -2.0280 -1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1710 -3.5230 -0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3550 0.2530 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9110 0.1460 1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 0.7080 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6910 -0.8260 1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7690 -4.3130 -2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5110 -5.6920 -0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3500 -4.2380 -0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9370 -4.9610 -3.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1130 -6.3910 -2.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2070 -7.1670 -1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0490 -5.7060 -2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6980 -8.5500 -2.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5450 -7.0820 -3.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8330 -8.2320 -4.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0700 -2.0940 3.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2240 -3.2100 3.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 -1.0500 -0.1520 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9630 -0.5560 -1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 49 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 7 49 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M CHG 1 49 1 M END