KEYORGANICS-ZINC04105065 MOE2007 3D Structure written by MMmdl. 56 58 0 0 1 0 0 0 0 0999 V2000 -1.8440 2.6870 -6.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 2.8480 -4.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0690 2.0070 -5.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2610 4.3220 -4.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 2.4390 -3.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 3.1220 -3.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 2.7770 -2.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 1.7350 -1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8830 1.0450 -1.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 1.3920 -2.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 1.3680 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 1.8230 1.3480 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7910 1.4470 1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 3.3540 1.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4570 3.7860 2.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 3.1630 3.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 1.2140 2.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 0.9560 5.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 1.0770 6.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 1.9080 7.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 2.0330 8.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 1.3310 8.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0520 0.5000 7.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2530 0.3720 6.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 1.6550 -6.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3370 2.9390 -7.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 3.3370 -6.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8240 2.0970 -4.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5410 2.3370 -6.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8260 0.9450 -5.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4140 5.0080 -4.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8030 4.6290 -5.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9260 4.4780 -3.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 3.9400 -3.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 3.3340 -1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 0.2250 -1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4380 0.8160 -3.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 0.2770 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 1.7790 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 3.7690 1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 3.7860 0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 3.5030 2.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 4.8780 2.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 3.4160 4.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 3.4910 4.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 0.1210 2.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 1.5210 2.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 -0.1060 4.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8190 1.3560 5.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 2.4650 7.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1410 2.6770 9.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 1.4280 9.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9850 -0.0520 7.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5820 -0.2910 5.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7670 1.6580 3.8380 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7480 1.3590 3.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 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 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 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 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 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 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 55 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 17 55 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 18 55 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 22 23 2 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END