B1HYO7 -OEChem-04022118493D 46 49 0 1 0 0 0 0 0999 V2000 3.4174 0.7663 1.5948 S 0 0 1 0 0 0 0 0 0 0 0 0 -4.9775 -0.8756 1.3944 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1627 2.0660 1.6558 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5838 -3.1024 0.8289 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6167 3.2928 -0.1291 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1276 -1.2773 0.8924 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8421 1.2047 -1.1118 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8368 0.1137 0.6777 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 1.1365 0.9073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9205 -0.0380 0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3225 -1.2443 -0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4598 0.4861 0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7995 1.8227 0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3267 -1.9296 0.5476 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4249 2.4795 0.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1445 2.8187 0.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -2.1045 1.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1728 1.4094 -1.6374 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1410 2.1719 -0.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9075 0.5207 -0.7508 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7126 -1.8896 -1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2622 0.9886 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2864 -0.1178 -1.9328 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6891 -1.3211 -2.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1674 -0.4641 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2118 -1.5785 -1.0655 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0886 -2.7861 -0.3195 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9545 -2.5487 1.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 -0.2913 0.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1336 3.2844 0.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0953 3.8664 0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4575 -2.9871 1.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5339 -1.5405 2.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5878 -2.4482 0.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2417 0.8337 -2.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2967 2.4676 -1.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3940 1.4566 -0.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2616 -2.8336 -1.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2160 1.6340 0.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2439 1.1589 -1.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3967 0.3270 -1.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0505 0.3237 -2.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9879 -1.8187 -3.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3286 -1.5357 -2.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0978 -3.7784 -0.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8438 -3.2777 1.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 25 1 0 0 0 0 2 28 1 0 0 0 0 4 14 2 0 0 0 0 5 19 2 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 7 41 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 20 2 0 0 0 0 11 14 1 0 0 0 0 11 21 2 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 16 1 0 0 0 0 13 19 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 22 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 20 23 1 0 0 0 0 20 37 1 0 0 0 0 21 24 1 0 0 0 0 21 38 1 0 0 0 0 22 25 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 M END $$$$