IBS-ZINC01761587 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 1 0 0 0 0 0999 V2000 -0.4310 2.3000 4.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 1.1070 3.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7130 0.5650 3.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 -0.5460 2.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6420 -1.2120 1.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 -2.3420 1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4470 -3.1250 0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7770 -2.7930 0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0180 -1.6450 1.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9600 -0.8620 2.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9030 -3.6870 0.3970 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.5200 -4.4850 -0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7280 -4.2850 1.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0400 -3.6120 1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1150 -2.8380 0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1150 -2.2750 -0.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8880 -2.9570 -0.3910 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6170 -2.4350 -1.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1510 -3.3850 -2.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6740 -2.6050 -4.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9230 -3.5480 -5.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9320 -3.6210 2.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4170 -5.2900 2.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3040 -5.7880 3.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1140 -5.9570 2.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0720 -5.5170 3.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8160 -6.1180 3.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6110 -7.1590 2.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6390 -7.6190 1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8960 -7.0190 1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 -7.7270 2.0590 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 2.6670 4.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 3.1200 3.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 2.0280 5.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 1.3900 2.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 0.3130 3.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2370 0.2430 4.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2890 1.3480 2.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 -2.6220 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2120 -4.0090 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0330 -1.3450 1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2030 0.0110 2.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1210 -1.4660 -1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5400 -2.2690 -1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5950 -4.3290 -2.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2070 -3.6100 -2.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1920 -3.5850 -4.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1420 -1.9200 -4.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7270 -2.1700 -5.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9510 -3.5590 -4.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5210 -4.5620 -5.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8840 -3.0330 -6.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8780 -6.5140 3.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2270 -4.6930 3.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9990 -5.7760 3.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4550 -8.4410 0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6990 -7.3820 0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0790 -2.7730 -4.1870 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.4990 -1.8330 -4.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 1 0 0 0 0 13 23 2 0 0 0 0 14 15 1 0 0 0 0 14 22 2 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 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 45 1 0 0 0 0 19 46 1 0 0 0 0 19 58 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 58 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 21 58 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 58 1 M END