SIAL-ZINC04533978 MOE2007 3D Structure written by MMmdl. 56 60 0 0 1 0 0 0 0 0999 V2000 2.3080 4.9240 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 4.1260 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 3.0680 -0.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 2.7910 -1.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1610 3.7650 -1.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3130 4.8390 -0.9920 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7560 3.5200 -2.9940 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5780 2.1840 -3.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4350 1.8010 -2.6740 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4010 1.4560 -3.9930 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2660 4.5870 -3.8270 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9060 5.2140 -3.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 4.2610 -5.2060 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5060 3.3260 -5.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2960 5.3510 -6.1070 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3410 5.1050 -7.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8850 5.3580 -5.5600 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4270 4.4000 -5.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 5.3780 -4.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 6.4900 -5.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 6.1010 -5.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 5.5440 -4.4530 P 0 0 3 0 0 0 0 0 0 0 0 0 0.3500 6.3930 -3.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6210 5.4640 -4.7310 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5350 5.3150 -3.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 4.0480 -2.8310 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9030 3.2650 -3.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 3.4720 -2.0100 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1570 2.9690 -2.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6330 2.5010 -1.0810 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3970 1.6130 -1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 3.2860 -0.8510 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2890 3.8010 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 2.4400 -1.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 4.3000 -1.8790 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3260 2.3820 0.0470 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.0570 4.4700 -1.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1320 3.9680 -0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 4.0080 -4.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 2.7980 -5.4180 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 2.2470 -5.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9660 6.5920 -5.8990 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8540 6.2560 -5.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2350 4.4390 -5.1430 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3530 5.7500 0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2680 1.8270 -4.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1810 0.4920 -4.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 7.3770 -5.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1090 6.7670 -6.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4640 6.2130 -3.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5350 5.2770 -4.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 1.4780 -1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 3.2840 -6.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 1.7250 -5.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 1.6250 -4.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4650 2.5960 -7.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 45 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 44 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 42 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 35 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 37 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 36 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 34 52 1 0 0 0 0 37 38 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 40 53 1 0 0 0 0 40 54 1 0 0 0 0 42 43 1 0 0 0 0 53 56 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 36 -1 M CHG 1 44 -1 M END