BU7TF3 -OEChem-04012115402D 42 45 0 0 0 0 0 0 0999 V2000 4.6783 -4.4858 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6593 0.2438 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -2.4638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6709 3.8176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6679 2.0873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6709 3.8124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1724 4.6810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -0.7690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1664 1.2186 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6679 2.0821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -1.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -0.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -1.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -3.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6649 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1664 1.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9986 -1.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8655 -0.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1694 2.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6679 2.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1694 2.9507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6709 3.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -1.3061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -1.8384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -3.6810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 -0.3076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.3010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9327 -1.8497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.8710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.4910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4314 -0.9879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8555 0.6823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0509 3.8187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9818 4.3488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 17 1 0 0 0 0 2 18 1 0 0 0 0 2 25 1 0 0 0 0 3 16 2 0 0 0 0 4 28 1 0 0 0 0 4 41 1 0 0 0 0 5 27 2 0 0 0 0 6 29 1 0 0 0 0 6 42 1 0 0 0 0 7 29 2 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 33 1 0 0 0 0 9 20 1 0 0 0 0 9 27 1 0 0 0 0 9 40 1 0 0 0 0 10 20 2 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 2 0 0 0 0 12 14 1 0 0 0 0 12 19 2 0 0 0 0 13 16 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 21 2 0 0 0 0 15 18 2 0 0 0 0 15 22 1 0 0 0 0 17 32 1 0 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 19 34 1 0 0 0 0 21 24 1 0 0 0 0 21 35 1 0 0 0 0 22 25 2 0 0 0 0 22 36 1 0 0 0 0 23 24 2 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 M END $$$$