KEYORGANICS-ZINC01402700 MOE2007 3D Structure written by MMmdl. 46 49 0 0 0 0 0 0 0 0999 V2000 -1.0890 -0.9740 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -0.1010 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 -0.6960 -0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5260 0.0770 -0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 1.4570 -0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 2.0990 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 1.2980 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 3.2110 0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 4.0270 0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 3.4890 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 4.4180 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5380 3.6720 0.6930 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7780 4.7640 1.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 5.8710 1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8490 5.2790 0.4500 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6410 4.2150 -0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 3.1050 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1090 5.7090 0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1800 5.1240 0.2220 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4040 5.5620 0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6160 6.5620 1.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4770 7.1000 2.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2330 6.6950 1.7070 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8290 -0.6560 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 -2.0240 -0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 -0.9200 0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -1.7720 -0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4830 -0.3960 -0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 2.0250 -0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 5.1010 0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7540 4.3840 -0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 5.4560 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0460 4.1400 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 4.3380 2.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8520 5.2030 2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0840 6.3770 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8570 6.6230 1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1420 4.6430 -1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5700 3.7570 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5040 2.3980 -0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3090 2.5540 0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2340 5.0630 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6060 6.9010 1.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5260 7.8990 2.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 1.8980 0.2190 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9330 1.3280 0.3270 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 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 45 2 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 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 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 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 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END