CHEMDIV-ZINC04144071 MOE2007 3D Structure written by MMmdl. 46 50 0 0 0 0 0 0 0 0999 V2000 0.0820 6.1790 0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 4.9740 1.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 3.8220 0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 3.9020 -0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 2.0630 2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 1.7900 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 2.4740 1.1070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 0.0480 -0.1460 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7970 -0.2570 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1010 -1.7300 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1720 -2.4620 1.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 -3.8330 1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6160 -4.5000 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 -3.7680 -1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 -2.3960 -1.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 -5.9730 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7030 -6.2820 -0.0930 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6680 -8.0270 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5180 -8.3920 1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -10.1130 -0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5680 -10.0950 0.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5640 -8.7620 1.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4940 -11.2800 1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5370 -12.4520 0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6460 -12.3840 -0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7200 -11.2360 -1.5020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 5.0600 -1.3280 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 6.1740 -0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 7.1290 1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 4.9390 2.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 0.2420 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2120 0.1940 0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -1.9690 2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4890 -4.3780 1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6930 -4.2610 -2.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 -1.8520 -2.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 -6.4700 0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 -6.4240 -1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4120 -11.2940 2.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4850 -13.4240 1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6780 -13.2980 -1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 7.1140 -1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 2.6190 -1.0610 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0700 2.3700 -2.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7290 -8.8100 -1.1240 N 0 3 0 0 0 0 0 0 0 0 0 0 4.8270 -8.5170 -2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 27 2 0 0 0 0 4 43 1 0 0 0 0 5 7 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 43 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 18 22 1 0 0 0 0 18 45 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 26 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 27 28 1 0 0 0 0 28 42 1 0 0 0 0 43 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 43 1 M CHG 1 45 1 M END