IFLAB-ZINC00213922 MOE2007 3D Structure written by MMmdl. 40 42 0 0 0 0 0 0 0 0999 V2000 -1.7500 -0.0500 2.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 -2.0130 1.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -2.4950 2.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 -3.8860 2.9790 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 -4.4290 4.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 -5.7760 4.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0430 -6.2220 5.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 -7.5380 5.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -8.1630 5.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8780 -7.8380 3.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3320 -6.7950 3.2050 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 -5.5180 6.3920 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 -4.2470 6.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 -3.6720 5.2020 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 0.0150 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 1.5040 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0510 2.3420 -0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 3.7240 -0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 4.2820 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 3.4590 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 2.0770 0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5710 -0.4690 1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7930 -0.3970 3.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7780 1.0420 2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 -2.4790 1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -2.2590 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 -1.8740 3.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8490 -2.3660 3.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 -4.5160 2.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9800 -8.8260 3.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0620 -3.5990 7.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 -0.3090 -0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -0.4780 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 1.9310 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6390 4.3660 -0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 5.3580 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2660 3.8970 0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9490 1.4560 0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 -0.5050 1.4930 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3070 -0.0720 2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 14 2 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 30 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 39 1 M END