IBS-ZINC02131937 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 -0.0460 1.7170 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -0.0830 -0.3070 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6610 -0.5070 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 -2.0250 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3390 -2.4020 0.0860 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8850 -1.9270 -0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5480 -3.9190 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5860 -4.6880 0.8790 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6370 -4.3280 -1.3970 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8360 -5.7180 -1.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5120 -6.4330 -1.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6850 -7.8610 -2.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 -8.1800 -2.8890 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9450 -1.9550 1.3540 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3530 -2.2440 2.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7980 -1.8770 3.7230 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9990 -1.1560 3.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5170 -0.7650 4.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7200 -0.0580 5.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4160 0.2630 3.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9080 -0.1210 2.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7030 -0.8290 2.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1410 -1.2430 1.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7260 -0.9270 0.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9430 2.1630 -0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 2.0950 -0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4350 2.0130 0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 -0.0900 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 -0.0430 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4960 -2.4280 -1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 -2.4990 0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5650 -3.6530 -2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4400 -6.2180 -1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4160 -5.7000 -2.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8910 -5.8880 -2.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9580 -6.4580 -1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4280 -2.8370 2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9800 -1.0160 5.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1150 0.2390 6.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3520 0.8110 3.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4520 0.1310 1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6300 -8.5590 -2.4540 O 0 5 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 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 14 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 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 42 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 17 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 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 M CHG 1 42 -1 M END