B5BI2A -OEChem-04012117272D 56 59 0 1 0 0 0 0 0999 V2000 10.4647 1.3061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8107 0.2142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8145 2.3898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7688 3.2753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.7592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 -0.4545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4170 3.8076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 -2.0640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.7592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.2592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0027 0.8034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0511 0.4960 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0044 1.8034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0539 2.1141 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7465 3.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3241 -1.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1096 4.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5556 1.0839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4386 0.4001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9085 2.4159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4417 2.2121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3775 0.4654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3804 2.1366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9441 -1.2592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0232 3.6777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6996 4.9498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9190 5.3492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5196 4.5687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.5692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 -4.7592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.3792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 -4.7592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.4308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.2777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.4308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 13 2 1 1 0 0 0 2 39 1 0 0 0 0 15 3 1 1 0 0 0 3 40 1 0 0 0 0 4 17 2 0 0 0 0 5 12 1 0 0 0 0 5 26 1 0 0 0 0 6 33 2 0 0 0 0 14 7 1 6 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 17 1 0 0 0 0 8 22 1 0 0 0 0 8 42 1 0 0 0 0 9 19 2 0 0 0 0 9 20 1 0 0 0 0 10 18 2 0 0 0 0 10 23 1 0 0 0 0 11 21 1 0 0 0 0 11 23 2 0 0 0 0 12 21 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 6 0 0 0 16 38 1 0 0 0 0 18 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 24 25 3 0 0 0 0 25 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 31 1 0 0 0 0 28 50 1 0 0 0 0 29 32 2 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 33 34 1 0 0 0 0 34 54 1 0 0 0 0 34 55 1 0 0 0 0 34 56 1 0 0 0 0 M END $$$$