IFLAB-ZINC04086916 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 0 0 0 0 0 0999 V2000 0.3840 1.0930 0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -0.4000 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 -2.3280 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8350 -2.7160 0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7720 -1.9890 -0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3490 -0.8600 -1.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 -0.2080 -2.1060 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.6760 -1.3890 -1.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1590 -2.2930 -0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9890 -3.3720 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1390 -3.5660 -0.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3590 -4.1020 0.7910 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1170 -5.1710 1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9720 -6.4310 0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9680 -1.4060 -2.1590 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5230 -0.5240 -3.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9800 0.4390 -3.6080 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9690 -0.8870 -3.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5790 0.0530 -4.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3160 -0.4180 -4.7330 S 0 0 0 0 0 0 0 0 0 0 0 0 -11.6840 0.6010 -6.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2970 0.0060 -7.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6180 0.7680 -8.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3370 2.1330 -8.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7380 2.7360 -7.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4170 1.9740 -6.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9880 -0.2540 -1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4400 1.3510 0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 1.6740 -0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 1.4070 1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 -0.7120 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 -0.9430 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 -2.6800 1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 -2.7410 -0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9240 -3.7990 0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1130 -2.4830 1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7070 -5.3390 2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1690 -4.8900 1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3760 -6.2860 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9160 -6.6960 0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4970 -7.2680 1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5530 -2.1670 -1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9900 -1.9230 -3.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5310 -0.8400 -2.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5430 1.0850 -4.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0130 -0.0010 -5.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5260 -1.0570 -7.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0900 0.2960 -9.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5880 2.7270 -9.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5250 3.8020 -7.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9690 2.4710 -5.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 -0.4820 -1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0520 0.8290 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 -0.8110 0.1760 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6520 -0.4210 1.0210 H 0 0 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 31 1 0 0 0 0 2 32 1 0 0 0 0 2 54 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 3 54 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 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END