IBS-ZINC05347220 MOE2007 3D Structure written by MMmdl. 45 47 0 0 0 0 0 0 0 0999 V2000 -2.4350 -2.8890 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -2.1070 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -2.7830 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 -2.0900 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -0.6960 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 0.0890 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5670 -0.4510 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 1.5530 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 2.0920 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 1.3430 0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 -0.7300 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 3.5680 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 4.2690 0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 4.1320 0.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 5.5910 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 5.9660 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 7.4670 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 8.1480 1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 9.5250 1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2730 10.2200 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2210 9.5380 -1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0940 8.1620 -1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 11.9750 0.0880 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 12.4230 1.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9330 12.4360 -1.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0530 12.3180 0.1040 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7550 -3.0710 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2800 -3.8410 0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2030 -2.3190 0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -3.8630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 -2.6200 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2130 2.1870 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 -0.2150 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 3.5720 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 5.9950 0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 6.0040 -0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 5.5620 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3510 5.5530 0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0230 7.6050 2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2400 10.0580 2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2790 10.0810 -2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 7.6290 -2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7020 11.5970 0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3540 13.2410 0.1120 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 12 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 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 33 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 34 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 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 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 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 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 42 1 0 0 0 0 23 43 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 44 1 0 0 0 0 27 45 1 0 0 0 0 M END