IBS-ZINC05347220 MOE2007 3D Structure written by MMmdl. 44 46 0 0 0 0 0 0 0 0999 V2000 -2.6540 -2.6550 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -1.9820 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 -2.7450 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 -2.1230 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 -0.7300 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 -0.0500 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5410 -0.6640 -0.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 1.4170 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 2.0460 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 1.4110 -0.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 0.0390 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2220 -0.5830 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 3.5390 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 4.1910 -0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 4.0950 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 5.5370 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6580 5.9000 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 7.3900 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9710 8.0950 1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2310 9.4690 1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4230 10.1400 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3350 9.4620 -1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 8.0890 -1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7770 11.9170 0.0920 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 12.3700 1.3280 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1220 12.3760 -1.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3640 12.0430 0.0820 N 0 5 0 0 0 0 0 0 0 0 0 0 -4.6780 11.6500 0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9820 -2.8080 -1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6110 -3.6250 0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4020 -2.0490 0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 -3.8320 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0160 -2.7280 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 1.9290 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1240 0.0240 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 3.4790 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 5.9480 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 5.9440 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 5.4500 -0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 5.4530 0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8350 7.5790 2.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 10.0040 2.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4770 9.9950 -2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 7.5680 -2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 12 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 11 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 35 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 M CHG 1 27 -1 M END