IBS-ZINC01249344 MOE2007 3D Structure written by MMmdl. 52 53 0 0 1 0 0 0 0 0999 V2000 -2.6730 5.7000 -3.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 6.0710 -4.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 7.3140 -5.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 6.3270 -3.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 5.0960 -2.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 4.0840 -3.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 2.9400 -2.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 2.7830 -1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 3.8030 -0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 4.9460 -1.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.5210 -0.4400 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5980 0.8110 -1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1790 1.8200 0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 0.8200 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 0.3050 -0.8400 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 -0.3990 -0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8610 -0.7900 -1.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1670 -1.4990 -1.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2010 -2.8910 -1.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4100 -3.5450 -1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5930 -2.8140 -1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5700 -1.4300 -1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3630 -0.7730 -1.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4160 5.5680 -4.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6220 4.7590 -3.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0380 6.4790 -3.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 5.2430 -5.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 7.5700 -5.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1790 7.1400 -6.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7890 8.1790 -4.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 7.1180 -2.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 6.7160 -3.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 4.1830 -4.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8300 2.1760 -3.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 3.7230 0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 5.7210 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 0.9070 1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0870 2.2360 0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 2.5460 1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 0.4450 -1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 -1.2850 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 0.2680 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0310 0.1020 -2.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 -1.4310 -2.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2880 -3.4790 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4310 -4.6260 -1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5330 -3.3240 -0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4950 -0.8620 -1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3660 0.3080 -1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 0.2870 1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 0.7510 1.3790 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2920 1.1560 2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 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 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 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 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 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 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 51 2 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END