IFLAB-ZINC03865506 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 -0.9770 2.2960 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 0.8310 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 0.0490 -0.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 -1.2990 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 -1.8300 0.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7940 -2.0010 -0.1380 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7880 -3.4620 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4930 -4.0420 -1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8460 -1.9250 -1.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1090 -1.3750 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7110 -4.0620 -2.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3370 -5.3320 -1.9800 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.6050 -6.1470 -1.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5800 -5.7710 -2.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0320 -6.9830 -2.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0910 -7.6200 -2.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4100 -8.8620 -2.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4670 -9.6260 -2.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2130 -9.1350 -3.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9080 -7.8920 -4.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8460 -7.1360 -3.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3230 -9.9290 -4.2830 N 0 3 0 0 0 0 0 0 0 0 0 0 -12.5610 -11.0240 -3.7540 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.9550 -9.4580 -5.2390 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.6720 -5.0250 -0.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2410 -5.7640 -0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 2.9350 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 2.5160 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 2.5500 0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 0.5860 -0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 0.6200 0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7680 -3.8520 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3100 -3.7650 0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9550 -3.7990 -2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6010 -5.1270 -1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8800 -1.5670 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3380 -1.6520 -2.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6750 -1.6000 0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0360 -0.2870 -0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0780 -4.2420 -3.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4920 -3.3370 -2.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3630 -5.0090 -2.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3220 -5.9430 -3.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8280 -9.2430 -1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6870 -10.5880 -2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4800 -7.4940 -5.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6410 -6.1740 -4.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8830 -3.4400 -1.4560 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.4260 -3.7240 -0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 8 48 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 9 48 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 26 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M CHG 1 48 1 M END