KEYORGANICS-ZINC04087987 MOE2007 3D Structure written by MMmdl. 42 42 0 0 0 0 0 0 0 0999 V2000 0.8370 3.6160 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 2.1280 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 1.5720 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 0.1940 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -0.5760 0.0190 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 0.0420 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 1.3770 -0.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -0.8380 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0210 -0.6090 1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9740 -0.6120 -1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5530 -0.4930 0.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8710 0.0950 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9280 -1.0120 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3330 -0.4190 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6980 -0.9490 -0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5640 -2.3250 1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2790 4.0530 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 4.0480 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 3.8880 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1520 2.2050 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8370 -1.8860 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4080 0.4150 1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8780 -1.2910 1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -0.7840 2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 0.4120 -1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -0.7890 -2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8290 -1.2950 -1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -1.4980 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0070 0.7300 -0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9950 0.7180 0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 -1.6440 0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 -1.6560 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4480 0.2390 -0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5560 0.1500 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0640 -0.2430 0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3950 -1.7820 -0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5330 -0.4540 -1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6220 -2.8250 1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3350 -3.0760 0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8670 -1.6560 1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3800 -1.5090 -0.0700 N 0 3 0 0 0 0 0 0 0 0 0 0 8.0640 -2.1550 -0.8060 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 41 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 41 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 41 1 M END