B61TJN -OEChem-04012117542D 48 50 0 0 0 0 0 0 0999 V2000 2.8660 -2.0670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.9330 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7648 -0.5615 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -2.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -1.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 1.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2942 0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5738 0.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2429 0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7429 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.4581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.4581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.9080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.9080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7027 1.4462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8595 0.1614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9951 -1.3358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 16 1 0 0 0 0 1 25 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 9 1 0 0 0 0 2 26 1 0 0 0 0 3 26 1 0 0 0 0 3 29 1 0 0 0 0 4 20 2 0 0 0 0 9 20 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 2 0 0 0 0 11 14 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 18 2 0 0 0 0 13 15 2 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 23 2 0 0 0 0 17 21 1 0 0 0 0 17 35 1 0 0 0 0 18 22 1 0 0 0 0 18 36 1 0 0 0 0 19 24 2 0 0 0 0 19 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 41 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 29 2 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 M END $$$$