KEYORGANICS-ZINC04105066 MOE2007 3D Structure written by MMmdl. 56 58 0 0 1 0 0 0 0 0999 V2000 -9.0210 3.6640 3.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6170 3.3610 4.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8130 2.5150 5.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9440 4.6840 4.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7620 2.6710 3.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4970 3.3260 2.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7240 2.7280 1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1900 1.4500 1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4470 0.7850 2.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2200 1.3870 3.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3480 0.8050 0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 1.3990 0.0940 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0060 2.4900 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 1.1020 1.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 1.5980 1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 1.0500 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2460 0.8440 -1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 1.1410 -2.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -0.3000 -2.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 -0.8670 -2.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -2.2060 -2.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -2.9910 -3.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -2.4390 -3.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 -1.1010 -3.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5150 2.7470 3.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6630 4.1250 4.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9860 4.3550 2.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8560 2.2860 6.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4250 3.0490 6.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3220 1.5690 5.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8660 5.3970 3.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5160 5.1790 5.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9310 4.5080 5.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8960 4.3210 1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5490 3.2710 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0470 -0.2110 2.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3840 0.8190 4.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8770 0.9220 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2890 -0.2780 0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5140 1.5790 2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0650 0.0210 1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 1.3030 2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 2.6950 1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -0.0410 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 1.4960 -0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7920 1.1410 -2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1610 -0.2480 -1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8400 1.5730 -3.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 1.7360 -2.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 -0.2740 -2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5840 -2.6360 -2.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 -4.0320 -3.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2880 -3.0520 -4.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 -0.6930 -3.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 1.4170 -1.2730 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9570 2.4400 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 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 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 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 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 55 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 17 55 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 18 55 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 50 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 22 23 2 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END