ENAMINE-ZINC00128042 MOE2007 3D Structure written by MMmdl. 42 44 0 0 1 0 0 0 0 0999 V2000 3.7800 2.2010 0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 1.4480 0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5240 0.1360 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 -0.5140 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 0.1460 0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 1.4260 0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 2.1020 0.6760 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 2.2380 0.7400 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 3.8790 0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0870 4.2840 0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1300 4.8390 0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3730 4.6630 -0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4230 5.5560 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2480 6.6340 0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0230 6.8230 1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9720 5.9310 1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 3.6880 -1.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 4.3470 -1.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 -1.8240 -0.6310 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -2.7840 -0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 -4.1050 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -4.6080 -0.6270 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3830 -3.6620 -0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -2.3360 -1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3290 2.2760 -0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5830 3.2160 0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4050 1.6930 1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4720 -0.3370 -0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 3.8240 -1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3770 5.4070 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0650 7.3270 0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 7.6630 1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 6.0940 1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6700 -2.9580 -1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2070 -2.4370 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6640 -3.9800 1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 -4.8630 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -3.5170 0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2630 -4.0980 -0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 -1.6470 -1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 -2.5040 -2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 2.9350 -2.1810 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 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 28 1 0 0 0 0 4 5 1 0 0 0 0 4 19 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 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 33 1 0 0 0 0 17 18 2 0 0 0 0 17 42 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 M CHG 1 42 -1 M END