IBS-ZINC00271452 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 0 0 0 0 0 0 0 0999 V2000 -0.0600 1.3540 0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -0.0150 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 -0.6460 0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4350 0.0540 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 1.4500 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 2.0780 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5990 2.1200 -0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7890 1.3780 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 0.0120 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5840 -0.6430 0.2920 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9650 -0.8210 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1730 -0.3620 0.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3290 -1.1490 0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3070 -2.4160 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1130 -2.8880 -0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -2.1080 -0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0820 -4.2100 -1.1010 N 0 3 0 0 0 0 0 0 0 0 0 0 8.1690 -4.7440 -1.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9770 -4.7240 -1.3250 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7160 3.5970 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8120 4.1390 -1.1550 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0190 1.8630 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 -0.5900 0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 -1.7200 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 3.1520 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7320 1.8850 -0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2240 0.6210 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2460 -0.7650 1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2150 -3.0130 0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -2.4820 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7470 4.1750 0.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 8 9 2 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 31 2 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M CHG 1 21 -1 M END