B89OCN -OEChem-04022102152D 52 55 0 1 0 0 0 0 0999 V2000 3.3660 3.1985 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8325 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 1.4665 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.7553 -0.2146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7727 2.2265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 2.1985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7373 -1.6158 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0328 0.9665 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 1.3325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0441 -1.3024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 0.4665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0328 -0.0335 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0817 -0.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 0.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8418 -0.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8712 -2.1158 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4804 -2.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0817 1.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0791 -3.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0737 -3.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 1.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 2.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 0.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9577 -1.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2125 -0.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5852 0.2479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5448 -0.6526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3339 -0.9089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9113 0.2544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6016 -0.1441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8388 -1.4967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0173 -2.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8448 -1.7834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5344 1.3309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4625 -3.1588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0791 -3.7140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9448 -3.8050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6633 -3.3901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9477 2.4464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1593 2.7041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1593 -0.0391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9477 0.2185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.9525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.5225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 31 1 0 0 0 0 3 31 1 0 0 0 0 4 15 2 0 0 0 0 5 18 2 0 0 0 0 6 21 2 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 12 1 0 0 0 0 8 18 1 0 0 0 0 8 41 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 26 3 0 0 0 0 11 13 1 0 0 0 0 11 14 1 1 0 0 0 11 18 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 6 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 21 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 16 19 1 0 0 0 0 16 26 1 1 0 0 0 16 38 1 0 0 0 0 17 20 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 22 24 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 25 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 27 29 2 0 0 0 0 27 50 1 0 0 0 0 28 30 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 52 1 0 0 0 0 M END $$$$