PUBCHEM-ZINC05811120 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 0.4840 1.2850 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 -0.1400 -0.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -0.7960 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 -0.0850 -2.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 -0.7540 -3.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 -2.1330 -3.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -2.8500 -2.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 -2.1860 -1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 -2.9110 -0.2160 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -3.8440 0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 -4.5570 1.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 -4.3360 0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 -3.6220 -0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2110 -6.0290 2.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 -7.2890 2.4940 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6530 -7.0070 2.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -8.0460 3.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 -9.1580 4.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 -9.9410 5.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -11.0380 5.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -11.8320 6.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -11.5350 7.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 -10.4420 6.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6180 -9.6420 5.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 -12.3880 8.3260 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9410 -13.3500 8.6340 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 -12.1260 8.9570 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4250 -8.1260 1.3380 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5330 1.5700 -0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 1.6900 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 1.6820 0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4670 0.9920 -2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 -0.1970 -4.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2010 -2.6510 -4.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -3.9270 -2.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4920 -4.5800 -0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0910 -3.2910 0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 -5.2700 1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 -3.8230 2.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8910 -3.6000 1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4900 -4.8880 0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -2.9090 -1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -4.3560 -1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2330 -6.3120 1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 -5.4120 3.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 -7.3790 4.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 -8.4040 3.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 -11.2710 4.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 -12.6860 6.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8860 -10.2120 7.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2200 -8.7860 5.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 -8.4160 1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 -5.2690 1.1320 N 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 11 53 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 12 53 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 53 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 52 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END