IFLAB-ZINC00952039 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 0.4420 2.1440 0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 0.7020 0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 -0.4060 1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 -1.5250 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 -1.1260 -0.9690 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 0.2730 -0.9790 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 -1.9670 -2.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -1.5690 -3.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -2.3990 -4.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 -3.6250 -4.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -4.0230 -3.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 -3.1950 -1.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 -2.8060 0.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -0.3660 2.5660 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0950 0.6690 2.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 -1.1610 2.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5330 -1.0240 4.3270 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6740 -0.8020 4.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 -1.1320 5.1500 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2110 -0.9720 3.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3870 -2.3430 3.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 -2.9030 3.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 -2.0920 4.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -0.7160 4.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 -0.1570 3.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0900 0.0830 5.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1830 -0.5610 5.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 2.4510 0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 2.7680 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2160 2.2580 1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -0.6120 -3.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -2.0900 -5.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 -4.2720 -5.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9870 -4.9810 -2.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7370 -3.5050 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 -3.1410 0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0670 -0.7780 2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -2.2130 2.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -2.9790 2.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6030 -3.9740 3.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2180 -2.5300 5.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 0.9150 3.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8160 0.1900 6.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7990 -1.2430 6.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7670 -1.1210 5.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 6 2 0 0 0 0 3 4 2 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END