KEYORGANICS-ZINC01384168 MOE2007 3D Structure written by MMmdl. 52 56 0 0 0 0 0 0 0 0999 V2000 7.3490 1.0000 1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0830 1.8160 1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8190 1.0880 0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6880 1.7980 0.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 3.1500 1.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 4.1410 1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5120 5.3370 1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0010 3.7400 1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1830 3.1030 1.3500 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9270 6.6460 1.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 6.8110 2.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 8.0890 2.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 9.2160 1.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1280 9.0690 1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 7.7930 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 1.2410 0.5720 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 1.5480 -0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 1.7360 -0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 0.6630 0.4720 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 0.4380 1.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8810 0.1670 1.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -0.0590 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 0.5240 -0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6940 -0.2020 -0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8010 -1.5410 -0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7590 -2.1490 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 -1.4140 0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0300 1.3070 0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8300 1.1790 2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1480 -0.0700 1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8380 0.0140 0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8280 3.8690 1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 5.9580 2.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 8.2060 2.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 10.2090 1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 9.9490 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6810 7.7150 0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8190 0.7110 -1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 2.4400 -1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 1.7790 -1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 2.6960 0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3210 1.3440 2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.3770 2.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 0.0750 2.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 -0.7870 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 1.5760 -0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5050 0.2850 -1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6910 -2.1080 -0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8270 -3.1970 0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 -1.9350 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8540 5.0400 1.4270 N 0 3 0 0 0 0 0 0 0 0 0 0 5.6240 5.6660 1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 9 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 10 1 0 0 0 0 7 51 1 0 0 0 0 8 9 1 0 0 0 0 8 51 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 22 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 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END