IBS-ZINC02153269 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 0 0 1 0 0 0 0 0999 V2000 -2.9930 2.3280 -1.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 1.2380 -1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8130 -0.0520 -0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 -1.1440 -0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 -2.5060 -0.2470 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0690 -2.8240 -1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 -3.4980 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 -3.7800 1.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5160 -2.4770 0.8600 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8550 -2.1720 0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3930 -1.8850 -0.3280 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6080 -2.2130 2.0770 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.0040 -1.6340 2.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7650 -3.6620 2.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9010 -1.6360 1.8810 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4660 -0.9210 2.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5790 -0.1610 2.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2640 0.6230 3.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8500 0.6620 4.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5060 1.4630 5.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0200 1.3960 7.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8560 0.5870 7.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4470 0.5730 8.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2510 -0.1540 6.4660 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7430 -0.1170 5.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0530 -0.9080 4.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7140 2.3140 5.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3380 3.6610 4.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5730 4.4960 4.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 3.2410 -1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5080 2.0180 -2.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7470 2.5690 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2930 1.0460 -2.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 1.5920 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5760 0.1620 -0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3310 -0.4020 -1.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 -1.2520 -1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4090 -0.8110 0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0990 -2.7430 1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3480 -3.7300 3.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3030 -4.2460 1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7960 -4.1410 2.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9130 -0.1740 1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1190 1.1960 3.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4660 1.9570 7.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2150 -1.4980 4.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4130 1.7670 4.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2760 2.5060 6.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6870 4.2210 5.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7740 3.5140 3.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1420 4.7000 5.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2830 5.4550 4.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2300 3.9810 3.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 -3.9040 -0.9320 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 54 1 0 0 0 0 9 10 1 0 0 0 0 9 39 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 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 26 2 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 25 2 0 0 0 0 20 21 2 0 0 0 0 20 27 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 M CHG 1 54 -1 M END