IFLAB-ZINC04139021 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 -1.5470 1.0160 0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -0.2360 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -0.6990 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 -1.8480 1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 -2.5370 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.0760 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 -0.9240 -1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.7710 -2.4190 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -4.1140 -2.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -4.7270 -1.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 -4.8520 -3.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 -6.6280 -3.4160 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 -7.2280 -5.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 -8.6000 -5.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 -9.0280 -6.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -8.1200 -7.6360 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 -6.8380 -7.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 -6.3920 -6.1080 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 -5.8440 -8.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 -5.0810 -8.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6640 -4.8570 -8.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 -10.3750 -6.9280 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 -11.2640 -5.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 -12.4440 -6.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -10.9060 -4.6280 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -9.6080 -4.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -9.2880 -3.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8810 -11.9380 -3.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 -10.8440 -8.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 1.8820 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 0.9540 -0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8550 1.1190 1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -0.1620 2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 -2.2060 1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 -3.4340 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -0.5650 -1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -2.2880 -3.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 -4.6640 -4.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 -4.5050 -4.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 -6.3700 -9.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 -4.3610 -9.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -5.7830 -8.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 -4.5540 -7.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6090 -5.4010 -8.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6280 -4.1380 -9.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 -4.3310 -7.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 -12.9170 -4.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7360 -11.7530 -2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -11.9120 -3.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9920 -10.8680 -8.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -11.8460 -8.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3920 -10.1670 -8.9630 H 0 0 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 29 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 M END