KEYORGANICS-ZINC04025485 MOE2007 3D Structure written by MMmdl. 39 41 0 0 1 0 0 0 0 0999 V2000 -0.7780 3.5540 -5.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 2.8780 -4.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 2.3400 -4.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9200 1.6850 -3.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 1.5560 -2.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 2.0710 -2.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 2.7260 -3.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 1.9760 -1.1940 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 1.3510 0.0030 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0320 1.6440 0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -0.1300 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 -1.2910 -0.0910 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7610 1.8930 1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 1.5300 1.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7510 2.0310 2.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 2.9070 3.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 3.2960 3.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 2.7930 2.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7850 3.4190 4.6990 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 3.2400 5.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3310 3.8820 6.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2070 4.1560 5.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 2.8260 -6.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 4.3500 -5.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 4.0160 -6.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7100 2.4260 -5.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9080 1.2690 -4.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9040 1.0330 -1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6020 3.1310 -3.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5070 2.3680 -1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6260 0.8430 0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7680 1.7000 2.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 3.9900 3.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 3.1150 1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7880 2.6830 4.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1770 4.0230 6.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 4.4730 5.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1320 4.4370 6.5980 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.9590 4.9830 7.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 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 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 11 12 3 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 38 1 0 0 0 0 22 37 1 0 0 0 0 22 38 2 0 0 0 0 38 39 1 0 0 0 0 M CHG 1 38 1 M END