B7YMK9 -OEChem-04022109213D 43 45 0 0 0 0 0 0 0999 V2000 1.1227 -0.4225 1.7388 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7255 -1.5452 0.0437 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9197 0.4007 -0.1169 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 -2.7422 -0.8444 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7613 -1.6076 -0.5234 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 -1.5632 0.9893 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9055 0.7848 1.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8613 0.5676 -1.3416 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4536 -0.4653 0.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0689 -1.1439 -0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7450 0.0633 0.7996 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6595 -0.1028 -0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -1.2980 -1.5561 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1756 -1.2865 0.6066 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -0.7744 -1.4071 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1232 -2.2555 0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4347 -2.3430 1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0726 1.5678 0.6878 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4278 2.0387 0.9162 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3849 1.8281 -1.4097 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0930 0.1243 -0.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1466 2.6184 -0.3039 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2471 2.3719 0.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2017 2.8157 2.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1104 2.3686 -2.7727 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0039 0.5570 1.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7422 -1.8207 -2.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0204 -0.8972 -2.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3484 -1.2119 1.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6816 -3.3996 1.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3741 -1.8760 2.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1877 2.2152 0.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 1.2688 1.7257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7632 3.6280 -0.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4005 3.2716 0.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1634 1.7727 0.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0847 2.6676 -0.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8134 3.7235 2.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4709 2.2259 3.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1469 3.0944 2.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7196 3.2586 -2.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0524 2.6316 -2.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3480 1.6290 -3.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 14 1 0 0 0 0 2 17 1 0 0 0 0 2 21 1 0 0 0 0 3 12 1 0 0 0 0 3 18 1 0 0 0 0 4 16 2 0 0 0 0 5 10 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 6 29 1 0 0 0 0 7 19 2 0 0 0 0 7 21 1 0 0 0 0 8 20 1 0 0 0 0 8 21 2 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 15 1 0 0 0 0 13 15 2 0 0 0 0 13 27 1 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 23 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 22 1 0 0 0 0 19 24 1 0 0 0 0 20 22 2 0 0 0 0 20 25 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M END $$$$