IBS-ZINC00494535 MOE2007 3D Structure written by MMmdl. 38 40 0 0 0 0 0 0 0 0999 V2000 0.0710 0.0500 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 1.5530 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 2.2310 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 3.7000 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 4.3610 0.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 4.3310 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 5.7150 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5570 6.2670 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6860 5.4550 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 4.0800 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 3.5020 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 2.1660 -0.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9220 6.0170 0.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2700 6.7390 -1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 6.7790 -1.9680 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5710 7.5000 -1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 1.5070 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8370 0.6480 0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0410 -0.0270 0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9180 0.1570 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5920 1.0120 -1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 1.6880 -1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2100 -0.5650 -0.1370 N 0 3 0 0 0 0 0 0 0 0 0 0 6.9840 -0.4060 -1.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4990 -1.3190 0.7750 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0530 -0.3870 0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 -0.2960 -0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 -0.2550 -0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 6.3480 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6710 7.3390 0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4380 3.4580 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0890 7.3440 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3690 8.5630 -1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1950 7.1420 -1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 0.5070 1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -0.6960 1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2800 1.1520 -1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1360 2.3570 -1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END