IBS-ZINC02116393 MOE2007 3D Structure written by MMmdl. 49 49 0 0 1 0 0 0 0 0999 V2000 -0.2340 3.7160 -4.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 3.2560 -3.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 3.7600 -3.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 3.7680 -2.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 3.0590 -1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 1.5630 -1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 1.2670 0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6970 1.8840 1.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 3.3790 1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6920 3.6510 -0.0430 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6830 3.1780 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9330 5.7280 0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2250 7.1680 0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2060 7.8190 1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2390 9.5090 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0260 10.0190 2.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 4.8090 -4.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 3.3340 -5.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 3.3460 -4.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 2.1640 -3.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 4.8550 -3.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 3.4120 -2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 3.3900 -4.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 4.8460 -2.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 1.0990 -1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6920 1.0800 -1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 0.1830 0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0460 1.6570 0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 1.3660 1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 1.7320 2.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 3.9210 1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5510 3.7320 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8400 5.1160 0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 5.6980 1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2910 7.7420 0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6370 7.1700 -0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1850 7.3270 1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7960 7.7810 2.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2150 9.0330 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3460 10.5880 -0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7030 9.0830 -1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3540 9.9120 3.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1110 11.0750 1.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0080 9.5870 2.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9570 5.1280 -0.1810 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3160 5.2630 -1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 5.6190 -0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4200 9.2790 1.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.5030 9.7190 0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 20 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 45 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 48 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 48 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 48 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 45 1 M CHG 1 48 1 M END