IBS-ZINC04042896 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 53 0 0 1 0 0 0 0 0999 V2000 0.3100 1.0840 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 1.5720 -1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 2.9540 -1.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 0.7810 -2.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8620 1.3560 -3.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 0.2340 -4.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0190 0.3990 -5.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 -0.9300 -3.4110 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -0.7220 -2.1580 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2510 -1.1460 -2.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 -1.3520 -0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2330 -0.9430 -0.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8580 -1.5400 0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2550 -2.5700 1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 -2.9730 0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 -2.3840 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8800 -3.1520 2.3830 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2270 -2.7560 2.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2110 -4.1720 3.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 -2.2590 -3.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 -2.9540 -4.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 -4.3310 -5.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -5.0360 -5.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 -6.4200 -5.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 -7.2100 -6.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1590 -6.6290 -6.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 2.5520 -3.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 0.0110 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 1.5910 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2110 1.3000 0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7620 -0.1550 -1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8440 -1.1670 0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4450 -3.7690 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 -2.7490 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9370 -2.9230 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5920 -3.3360 3.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2530 -1.7020 3.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0120 -5.0660 2.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2690 -3.7920 3.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8210 -4.4900 4.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7630 -2.8500 -3.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9260 -2.1600 -4.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 -2.3280 -5.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -3.0680 -3.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 -4.9430 -4.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8870 -4.2240 -5.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -4.4250 -6.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -5.1240 -4.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7720 -7.0210 -5.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 -6.3290 -6.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 3.2030 -2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 -8.3720 -6.7900 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 51 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 27 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 20 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 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 M CHG 1 52 -1 M END