ENAMINE-ZINC06530526 MOE2007 3D Structure written by MMmdl. 55 56 0 0 1 0 0 0 0 0999 V2000 1.3780 0.6450 9.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 0.4940 7.8210 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0820 0.0060 7.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 -0.4310 8.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 -0.6050 6.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 0.7390 6.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 1.6880 6.1050 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4530 2.6690 5.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 1.8590 7.2870 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5880 2.3440 8.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1150 2.8120 6.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 1.2240 4.8880 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 1.5780 3.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7550 2.2960 3.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 1.0000 2.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 0.9470 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 1.4920 -1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 1.0170 -2.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 1.7750 -3.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7530 1.3610 -4.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 0.1820 -5.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -0.6020 -4.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -0.1820 -3.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 -0.3530 -6.5620 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2720 0.3640 -6.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 -1.7960 -6.6030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 0.2720 -7.6870 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6570 -0.3360 9.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3080 1.1680 8.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 1.2000 9.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2510 -0.0260 9.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 -1.4160 8.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5080 -1.2210 7.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 -1.1490 6.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7770 1.2090 7.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8180 0.5740 5.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 3.7220 6.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6770 3.1240 7.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 2.3440 6.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 0.6100 4.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -0.0920 2.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0710 1.3460 2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 -0.1470 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 1.2710 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 1.2060 -1.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 2.5900 -1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 2.7070 -2.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5300 1.9690 -4.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -1.5320 -4.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 -0.7950 -2.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 0.5870 -7.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 0.9970 -8.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 1.4670 1.1590 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5210 2.4980 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 1.2150 1.1350 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 9 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 53 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 53 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 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 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 24 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 M CHG 1 53 1 M END