IBS-ZINC06759598 MOE2007 3D Structure written by MMmdl. 54 58 0 0 0 0 0 0 0 0999 V2000 1.3580 2.7760 1.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 1.3920 1.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 0.8390 1.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 1.6670 0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7910 3.0580 0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 3.6090 1.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2310 1.0690 0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1200 0.7240 1.4280 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9800 1.5690 2.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5470 0.8390 3.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9690 -0.4440 2.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1340 -0.5340 1.9200 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4320 1.5150 3.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6320 2.8430 3.7160 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0290 3.4240 2.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1880 2.8630 1.7860 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0780 0.9690 5.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4770 -0.4290 5.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9930 -1.0170 6.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0000 1.2900 7.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4750 1.8600 6.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0780 -0.7010 9.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8120 -1.9600 9.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1700 -1.9140 9.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8550 -3.0840 10.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1920 -4.3090 10.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8430 -4.3670 9.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1540 -3.1990 9.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2510 3.2070 2.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9890 0.7450 2.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -0.2440 1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 3.7230 0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 4.6880 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 1.7640 -0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0260 0.1610 -0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1080 -1.3280 3.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2510 4.4750 2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5740 -0.4770 5.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1330 -1.0550 4.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8990 -1.0510 6.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4050 -2.0200 6.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9060 1.2780 7.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4130 1.8740 8.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0590 2.8700 6.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5680 1.9600 6.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9920 -0.8470 9.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3010 0.0740 9.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7090 -0.9690 9.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9060 -3.0410 10.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7260 -5.2190 10.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3260 -5.3240 9.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1000 -3.2720 9.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4730 -0.1490 7.6890 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.5010 -0.1410 7.6630 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 16 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 11 36 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 53 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 53 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END