IFLAB-ZINC04315300 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -1.1410 -1.1680 -0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 -0.0100 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 -0.4850 1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 -0.7940 0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6410 -1.2520 1.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 -1.4140 3.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 -1.1100 3.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.6530 2.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 -1.8710 4.3080 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2730 -2.2300 4.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0320 -2.2270 3.3070 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8160 -2.6870 5.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9130 -1.3090 5.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4230 -1.3460 5.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0740 -2.4040 6.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4550 -3.7870 6.3480 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6810 -4.1020 5.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9290 -3.7360 6.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0240 -4.7930 7.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2290 -5.4190 7.0830 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8500 -5.2730 6.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4460 -6.2830 8.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4920 -7.1600 8.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3720 -7.9040 9.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2610 -7.7710 10.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2270 -6.8830 10.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3290 -6.1300 8.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4620 -5.2060 8.4090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7560 -1.7450 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 -0.7930 -1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 -1.8520 -1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 0.5720 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 0.6780 0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1990 -0.6810 -0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6700 -1.4750 1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -1.2260 4.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -0.4300 2.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 -1.9350 5.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4790 -2.0450 6.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4840 -3.7170 5.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6340 -1.0280 6.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4550 -0.6110 5.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6630 -1.5530 4.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8440 -0.3620 5.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1520 -2.4310 6.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9600 -2.1120 7.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4800 -4.6950 6.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 -3.4870 7.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3560 -7.2660 7.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1620 -8.6020 9.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1980 -8.3630 11.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3640 -6.7770 10.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3430 -2.6810 5.6090 N 0 3 0 0 0 0 0 0 0 0 0 0 6.5780 -2.9120 4.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 12 53 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 13 53 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 28 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END