IBS-ZINC05120024 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 0 0 0 0 0 0999 V2000 -0.8260 0.2800 0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 -1.0780 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9730 -2.4460 -1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1630 -2.4090 -2.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 -1.6000 -3.2320 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 -0.2470 -2.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 -0.2600 -2.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1330 -2.1170 -4.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 -1.9660 -5.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8230 -2.4960 -6.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9720 -3.1850 -6.8660 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 -3.3370 -5.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 -2.8270 -4.5530 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8420 -4.0400 -5.7190 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3670 -4.6680 -6.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7470 -5.2660 -6.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3320 -5.9720 -7.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8700 -5.2370 -8.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4100 -5.8900 -9.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4230 -7.2830 -10.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8880 -8.0230 -8.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3420 -7.3720 -7.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 -2.3900 -8.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -1.4100 -5.5710 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1920 -0.4550 -6.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 -1.9190 -4.7810 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1050 0.6610 1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 1.0180 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5630 0.1990 1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3390 -1.8040 1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 -1.4300 -0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 -2.9630 -1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 -2.9380 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0410 -1.9800 -1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4090 -3.4470 -2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 0.3400 -2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 0.2810 -3.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 0.7630 -1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7290 -0.7450 -2.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3110 -4.0930 -4.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6830 -5.4560 -7.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 -3.9310 -7.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4400 -4.4790 -6.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6790 -5.9630 -5.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8760 -4.1490 -8.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8220 -5.3100 -10.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8480 -7.7910 -10.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8960 -9.1090 -9.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9310 -7.9660 -7.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -1.8140 -8.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5410 -2.8910 -8.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 -1.0330 -0.7350 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3040 -0.5550 -0.2840 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 30 1 0 0 0 0 2 31 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 7 52 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M CHG 1 52 1 M END