IBS-ZINC04081132 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 0.2820 1.2040 -0.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -0.3330 -0.6400 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9880 -0.8510 0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4930 -0.7080 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9400 -1.3100 -1.0620 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9720 -1.0020 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -0.8880 -2.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -1.0680 -1.9400 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4000 -2.1450 -1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 -0.6870 -3.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 -1.0270 -2.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 -0.3880 -1.6190 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2910 0.6990 -1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -0.7040 -0.3890 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4410 -1.7920 -0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 -0.0660 0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4640 -0.4990 1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4000 -0.2040 -0.0930 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7960 -0.7560 -1.4010 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3530 -0.3410 -2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1080 -2.2600 -1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3510 -2.4190 -0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7100 -1.0210 0.0540 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.0000 -1.0960 1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9390 -0.4750 -0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9310 -0.6190 -1.9650 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6610 1.3100 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9690 -2.7340 -0.9630 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0790 -3.0480 -0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 1.4860 -1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 1.6560 -1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 1.6940 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -0.3160 1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 -1.9080 0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7660 0.3530 0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0320 -1.1930 1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2680 0.1550 -2.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3180 -1.4930 -3.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 0.3770 -3.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -1.2370 -4.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 -0.6970 -3.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8620 -2.1180 -2.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 -0.3600 1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 1.0260 0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 -1.5710 1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8480 -0.0020 2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2900 -2.6540 -2.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2850 -2.8440 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1670 -2.8990 -1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1150 -3.0840 0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7340 1.8850 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2680 1.5720 -1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1900 1.6640 0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8130 0.0650 0.0280 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 28 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 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 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 54 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 M CHG 1 54 -1 M END