ENAMINE-ZINC06653302 MOE2007 3D Structure written by MMmdl. 53 55 0 0 1 0 0 0 0 0999 V2000 0.5290 5.5860 5.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 4.1240 5.8430 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9810 3.5150 5.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 3.6820 7.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 4.4630 7.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3270 4.0010 8.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0240 2.7530 9.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 1.9630 8.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 2.4210 7.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 3.8700 4.6870 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 3.6400 3.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 3.6230 3.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 3.4120 2.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 1.3710 1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 0.8980 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 1.3440 -1.3980 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 2.7910 -1.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4860 3.2650 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 0.2310 -2.3570 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 0.8710 -3.6060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 -1.0350 -2.3380 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7920 0.0200 -1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8810 -1.0140 -0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0560 -1.1730 0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1350 -0.3150 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0510 0.6950 -0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8810 0.8600 -1.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 6.2800 5.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 5.7940 6.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 5.8190 4.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 5.4370 7.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0970 4.6170 9.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5550 2.3960 10.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 0.9880 9.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 1.7820 7.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7830 3.8660 4.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 4.3800 2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 2.7050 2.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4580 0.9010 1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 1.1570 2.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -0.1920 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 1.3020 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 3.3450 -1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3790 3.0310 -2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5710 4.3570 -0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 2.8240 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 -1.7010 -0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1380 -1.9740 0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0530 -0.4470 0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9050 1.3440 -1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8350 1.6360 -2.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 2.8730 1.0660 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2280 3.3170 1.0290 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 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 52 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 52 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 52 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 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 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END