B5JKY1 -OEChem-04022106072D 39 41 0 0 0 0 0 0 0999 V2000 6.9535 2.0419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -1.4590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4982 4.2150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5741 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.2623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5686 0.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8255 1.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5468 1.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3776 -0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0334 2.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8744 1.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2902 3.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1313 1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3392 2.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7550 4.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.2641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6634 0.1975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6230 2.7593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7455 0.6741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.7641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.7641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5416 1.7581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8784 3.3427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.3841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.1941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1699 5.3448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2943 5.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3402 4.4234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.8841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 12 2 0 0 0 0 3 16 1 0 0 0 0 3 25 1 0 0 0 0 4 24 1 0 0 0 0 4 39 1 0 0 0 0 5 24 2 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 26 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 27 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 13 17 1 0 0 0 0 13 18 2 0 0 0 0 14 16 1 0 0 0 0 14 28 1 0 0 0 0 15 19 2 0 0 0 0 15 29 1 0 0 0 0 16 20 2 0 0 0 0 17 21 2 0 0 0 0 17 30 1 0 0 0 0 18 22 1 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 M END $$$$