IBS-ZINC05422480 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 1.0560 -0.5940 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2930 -0.7750 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9930 -2.2760 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3070 -3.0580 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 -4.5590 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2660 -5.3080 0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8710 -5.6550 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4410 -5.0720 -2.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0470 -5.4090 -3.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0760 -6.3330 -3.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4930 -6.9300 -2.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8850 -6.6020 -1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3120 -7.2870 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1770 -6.3180 1.2160 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.2840 -6.8660 2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8220 -5.6590 1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2300 -5.4400 2.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2520 -5.2660 1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0440 -5.2900 0.2130 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7320 -6.6840 -4.8840 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.3660 -6.1580 -5.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6380 -7.4970 -4.9010 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 -0.5240 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 -0.5150 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 -2.5260 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 -2.5360 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8740 -2.8080 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8910 -2.7980 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -4.8100 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -4.8190 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6340 -4.3540 -2.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7180 -4.9510 -4.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2950 -7.6540 -2.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3500 -7.6060 -0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6790 -8.1580 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3300 -4.3030 2.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0360 -3.6500 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 4 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 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 18 19 2 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END