ENAMINE-ZINC03331518 MOE2007 3D Structure written by MMmdl. 54 57 0 0 1 0 0 0 0 0999 V2000 6.8370 3.7170 7.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2640 3.9970 8.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3200 4.0610 9.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5470 3.5680 8.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4810 3.5050 7.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1990 3.3710 8.1200 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3590 2.7530 9.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 1.6240 8.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 2.0650 7.3670 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 2.6780 6.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 3.8130 6.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 1.8930 7.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2880 1.5460 8.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 2.1290 6.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 3.0780 5.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9740 3.2900 4.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 2.5470 3.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 1.5760 3.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.3620 4.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 0.7770 2.6010 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7230 0.8120 1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5820 1.5700 0.8730 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 -0.2090 0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 -0.4600 -0.8820 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1440 0.4630 -1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 -1.1860 -1.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -0.7390 -2.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -2.3670 -2.3720 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5720 -2.6650 -1.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2050 -1.5760 -0.6380 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3150 -3.7560 -2.1200 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5550 3.6570 6.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3160 4.1670 8.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5680 4.2860 10.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1680 3.2610 6.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7100 3.5240 9.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9590 2.3290 9.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 1.2320 9.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 0.7970 8.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 1.8840 5.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 3.0800 5.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 4.6480 7.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 4.1970 6.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5880 3.6470 6.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7690 4.0310 4.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1740 2.7470 2.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 0.5990 4.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 0.1030 2.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 -1.1440 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 0.2010 0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1960 -3.9200 -1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9910 -4.4220 -2.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 3.8500 9.5040 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3450 3.9490 10.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 53 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 53 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 17 18 2 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END