IFLAB-ZINC04939518 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 53 0 0 1 0 0 0 0 0999 V2000 0.5810 -0.7250 -1.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 -0.0790 -2.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 -0.2610 -3.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 -0.6030 -1.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8120 0.2720 -1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0210 -0.1890 -0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3780 -1.5340 -0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5040 -2.4130 -1.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2970 -1.9520 -1.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5760 -2.0770 -0.2220 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5790 -1.3970 0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6340 -0.1880 0.6770 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7510 -2.2860 0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3740 -1.8550 2.1840 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.3530 -2.3230 2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3550 -2.4150 3.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4070 -1.6240 3.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8850 0.1990 3.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9590 1.7340 3.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7450 1.7010 1.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6700 0.1650 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1190 3.7340 2.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5110 -0.2750 -2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -0.5830 -0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -1.8010 -1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 1.0000 -2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 0.1980 -4.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 -1.3180 -4.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 0.2120 -4.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5630 1.3250 -1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6540 0.5340 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7430 -3.4690 -1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 -2.6640 -2.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6930 -3.0770 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4940 -2.2240 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4330 -3.3360 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0780 -0.1200 4.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8280 -0.2480 3.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2500 2.1000 4.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0010 2.1790 3.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8040 2.1450 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5680 2.0450 0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6240 -0.2830 1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3990 -0.1900 0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1630 4.1580 2.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3650 4.0410 3.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9230 4.0200 1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6210 -3.5640 3.6540 O 0 5 0 0 0 0 0 0 0 0 0 0 -8.6220 -0.3140 2.2160 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.6850 0.0560 1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0080 2.2300 2.6410 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.9260 1.8770 2.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 49 1 0 0 0 0 16 17 2 0 0 0 0 16 48 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 49 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 51 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 20 51 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 49 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 51 1 0 0 0 0 49 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 48 -1 M CHG 1 49 1 M CHG 1 51 1 M END