IFLAB-ZINC04374253 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 1 0 0 0 0 0999 V2000 -0.5540 0.6750 0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 1.2420 2.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 3.0840 1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6510 3.5420 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0100 3.1390 0.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8670 3.4790 -0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5530 4.0780 -1.8410 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1220 3.0330 -0.5170 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2540 3.2330 -1.4000 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.2470 4.2800 -1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2290 2.3250 -2.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6850 2.2280 -3.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0500 1.8690 -4.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4510 2.5430 -1.8700 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5990 2.9110 -0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8710 2.4990 -1.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5050 2.6960 -0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9000 2.6520 -0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6770 2.4100 -1.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0830 2.2100 -2.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6880 2.2540 -2.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0110 2.3680 -1.4170 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 -0.3460 0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 0.8190 0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0950 0.8850 -0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 1.3660 2.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 0.2040 2.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.8970 3.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 3.2210 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 3.6410 2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 4.6340 -0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 3.1000 -1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2280 2.5480 0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6400 2.7550 -3.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8570 1.3210 -2.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5370 2.0610 -0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9820 3.7900 -0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9360 2.8730 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3770 2.8030 0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7020 2.0220 -3.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2700 2.1000 -3.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0380 1.6170 1.4300 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0640 1.5180 1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 42 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 42 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 42 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 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 42 1 M END