IBS-ZINC05143832 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 0 0 0 0 0 0999 V2000 0.2180 1.1110 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -0.4110 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2930 -0.8070 0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 -1.1040 -1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8350 -2.5910 -1.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9710 -0.9020 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 -0.6300 2.3430 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9490 -0.7100 3.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2890 -1.0850 3.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9300 -1.3630 2.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2470 -1.2560 1.2110 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2640 -1.7400 2.3340 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0790 -0.7630 1.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5590 -1.1330 1.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7800 -2.5380 1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8830 -3.5280 1.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4230 -3.0890 1.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2450 -2.9380 1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0150 -1.1860 4.8380 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.5990 -0.2160 5.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0270 -2.2400 5.4490 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2700 -0.4240 4.6910 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 1.4060 -0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 1.4370 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 1.5750 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -0.8750 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 -0.7370 0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 -0.8580 -1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 -0.5100 -2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -2.8370 -1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2710 -3.1850 -0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 -2.8120 -2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9160 0.2310 2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7940 -0.7670 0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8490 -1.1150 2.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1630 -0.4160 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5270 -2.5460 0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1620 -3.5480 2.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0040 -4.5240 1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1410 -3.0830 0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7840 -3.7840 2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8830 -2.2290 0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4020 -3.9380 0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4960 -2.9310 2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 -0.1640 4.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 -0.4840 5.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END