IBS-ZINC05051991 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -1.3650 0.6790 -0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5010 0.6090 2.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5560 2.8240 0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 3.6230 1.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0380 5.0090 2.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 6.1330 1.3490 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7340 6.0790 1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 7.4130 2.0200 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9390 6.8770 2.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 5.3830 2.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 4.6740 3.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 7.5160 3.4310 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7510 8.5290 1.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 8.7840 0.7470 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 9.2750 0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0530 9.5540 1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0680 10.2200 0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8890 10.5980 -0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6860 10.3210 -1.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6650 9.6720 -0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3830 10.6220 -2.9230 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4010 11.2480 -3.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 6.0070 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6240 5.9130 -0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4940 5.7990 -2.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 5.7750 -2.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 5.8650 -2.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 5.9790 -0.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 5.6290 -4.6480 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6920 -0.3640 -0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 0.7500 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7700 1.1910 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 0.7040 2.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 -0.4400 2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0270 1.0350 3.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 3.1970 -0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 2.8950 1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5050 3.6050 1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4420 3.1810 2.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8030 7.7730 2.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2250 9.2930 2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0050 10.4510 0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7050 11.1110 -1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7270 9.4600 -1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0090 11.4030 -4.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2860 10.6080 -3.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6590 12.2300 -3.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6250 5.9380 -0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3840 5.7350 -2.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 5.8570 -2.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 6.0610 -0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9220 1.3490 0.9130 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.9460 1.2730 0.8400 H 0 0 0 0 0 0 0 0 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 1 52 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 2 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 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 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END