IFLAB-ZINC04583603 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 0 0 0 0 0 0999 V2000 -2.9210 0.1250 0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 -0.7260 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 -0.6000 1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 -1.3700 1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 -2.2660 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 -2.3940 -0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 -1.6160 -0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 -3.2670 -2.0590 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 -4.1230 -2.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -4.3300 -1.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 -4.9070 -3.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 -4.7120 -4.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 -5.7830 -3.9480 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 -6.6180 -5.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 -7.8700 -4.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -8.7970 -6.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 -9.8740 -6.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 -10.7420 -7.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 -10.5340 -8.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -9.4600 -8.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -8.5950 -7.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 -11.6520 -9.7650 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -10.7940 -10.8670 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 -12.0340 -9.8030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -12.8440 -9.4340 N 0 5 0 0 0 0 0 0 0 0 0 0 -0.9860 -12.4320 -9.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7550 1.0530 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7740 -0.4040 -0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1900 0.3740 1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8370 0.0980 1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -1.2710 1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 -2.8460 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2300 -1.6990 -1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 -3.2870 -2.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 -5.8300 -3.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -6.0180 -5.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6430 -6.8900 -5.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 -8.4130 -4.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -7.5890 -4.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 -10.0490 -5.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 -11.5750 -7.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 -9.2970 -9.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 -7.7640 -7.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 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 21 2 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 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 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 M CHG 1 25 -1 M END