IBS-ZINC04995324 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 0 0 0 0 0 0999 V2000 -1.1830 -4.5550 -3.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 -4.0240 -2.5730 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 -3.0010 -2.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -2.5640 -3.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 -1.5530 -3.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 -0.9740 -2.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 -1.4030 -1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -2.4130 -1.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 -2.8450 -0.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 -3.4580 0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 -3.7380 1.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7060 -3.2600 1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 -2.7120 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 -2.0970 -0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 -2.7780 -1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5830 -2.1970 -1.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3510 -0.9420 -2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1830 -0.2620 -2.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 -0.8280 -1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8760 -3.4460 2.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9780 -3.0720 1.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 -4.0430 3.4530 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 -4.4660 3.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -4.9940 4.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3730 -4.3390 3.1560 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -4.8320 3.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8650 -4.2350 4.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0820 0.1080 -2.3290 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6310 0.4880 -3.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 0.6200 -1.2600 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.6190 -3.7530 -4.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 -4.9670 -4.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 -5.3390 -3.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 -4.3820 -1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 -3.0150 -4.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -1.2150 -4.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7050 -0.9490 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 -3.6820 0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8320 -3.7570 -0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4970 -2.7220 -2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0850 -0.4930 -3.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0080 0.7160 -2.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 -0.2940 -1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 -4.0370 4.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 -5.6810 4.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5430 -5.1440 2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3260 -5.1990 4.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5480 -4.2090 5.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5880 -3.4390 4.1430 H 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 34 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 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 17 18 2 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M END