OTAVA-ZINC05550308 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.0270 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -2.5000 -2.4700 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8720 -2.7240 -2.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 -2.7280 -3.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -2.5420 -3.6160 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -3.2140 -4.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 -3.3840 -5.9200 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -2.3470 -6.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 -2.4560 -7.7250 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 -3.6060 -7.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 -4.7080 -7.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 -4.5700 -6.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -5.5050 -5.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 -5.8590 -7.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7050 -5.6460 -8.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 -4.0090 -9.1860 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8540 -7.1590 -6.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 -7.7590 -6.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 -8.9690 -5.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7420 -9.5860 -5.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9660 -8.9950 -5.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0280 -7.7820 -6.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2130 -9.6620 -5.3120 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.1600 -10.7300 -4.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2920 -9.1430 -5.5340 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -2.3880 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -2.4050 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0760 -3.7530 -2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2820 -2.5460 -3.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3360 -2.0410 -1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -2.4840 -5.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9120 -4.1690 -4.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -1.4070 -6.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3660 -6.3870 -9.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -7.2790 -6.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 -9.4350 -5.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6980 -10.5340 -4.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9850 -7.3200 -6.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 44 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 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END