CHEMDIV-ZINC02339185 MOE2007 3D Structure written by MMmdl. 47 49 0 0 0 0 0 0 0 0999 V2000 -2.7120 3.9900 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 3.3660 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 1.9710 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 1.3710 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 2.1930 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 3.5800 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 4.1700 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 4.4120 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2140 5.6350 0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5550 3.7120 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5640 2.3760 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 1.5800 0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8900 1.6910 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9510 2.3040 -0.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7880 0.3160 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9630 -0.5430 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5840 -2.0230 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7800 -2.9420 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3580 -3.3440 -1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4460 -4.2210 -1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9600 -4.6980 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4170 -4.2920 1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3290 -3.4140 1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3610 -5.8480 -0.1130 S 0 0 0 0 0 0 0 0 0 0 0 0 11.0500 -5.5060 -1.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0820 -5.4830 1.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7240 -7.3070 -0.0950 N 0 5 0 0 0 0 0 0 0 0 0 0 9.2240 -7.4010 -0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1260 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0380 4.1340 -1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4410 3.3560 0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7080 4.9600 0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0970 1.3450 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 5.2550 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4520 4.3200 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8650 -0.1050 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5720 -0.2690 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5520 -0.3120 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9460 -2.2680 0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9630 -2.2240 -0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9570 -2.9880 -2.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8800 -4.5350 -2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8280 -4.6610 2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9050 -3.1130 2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -0.4670 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 -0.6140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 -0.4520 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 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 17 39 1 0 0 0 0 17 40 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 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 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 43 1 0 0 0 0 23 44 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 28 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 M CHG 1 27 -1 M END