IBS-ZINC02098689 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.0270 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 -2.5210 -2.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 -4.0510 -2.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 -4.5230 -3.7380 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5990 -4.7330 -3.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1800 -5.0740 -5.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 -5.2280 -5.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4620 -5.2200 -6.1230 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1580 -5.3870 -7.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8360 -4.1840 -8.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 -3.9000 -8.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 -3.1170 -9.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8540 -2.4130 -10.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 -1.7610 -10.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4910 -1.8040 -10.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 -2.4950 -9.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 -3.1580 -8.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -3.9150 -7.5000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -4.1110 -6.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 -4.3550 -7.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.2220 -6.1260 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4320 -4.7420 -4.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 -4.5340 -4.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -6.6530 -6.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0460 -1.0620 -12.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 -0.4080 -12.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -2.3880 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -2.4050 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 -2.1600 -3.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 -2.1440 -2.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0030 -4.4120 -1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 -4.4280 -2.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0720 -3.8240 -3.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8060 -5.5460 -2.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2340 -5.4390 -7.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8180 -6.3020 -7.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3910 -3.3120 -7.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1170 -4.4090 -9.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8590 -2.3780 -10.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 -1.2790 -10.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8210 -2.5200 -8.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8770 -7.2970 -5.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4180 -6.6670 -6.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 -7.0140 -7.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 0.1120 -13.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 -1.1490 -12.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 0.3110 -12.0000 H 0 0 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 39 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 15 1 0 0 0 0 14 23 2 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 49 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 19 2 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 2 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 28 29 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 M END