BBA80I -OEChem-04022101272D 69 73 0 0 0 0 0 0 0999 V2000 3.3622 3.3958 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.1327 -3.3958 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.5321 1.9918 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7662 3.5657 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.9628 -1.9918 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.7288 -3.5656 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5753 4.0128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7452 2.6088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9196 -4.0128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7497 -2.6088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 4.1827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5157 -4.1827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9368 -0.9505 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5204 -1.7552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9368 -2.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2474 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 0.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1980 -0.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5581 0.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5100 0.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9849 -0.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9906 -1.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5366 1.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8903 1.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9906 -2.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5822 0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9127 -0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6509 1.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8441 -1.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1245 -0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8473 2.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2009 2.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9361 2.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5588 -2.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7952 1.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6997 -1.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8639 2.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6310 -2.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1245 -2.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1794 2.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2585 -1.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1491 2.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3457 -2.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2585 -2.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7524 0.0142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5889 0.8576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7425 -0.0142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9059 -0.8576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9507 0.6953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2836 1.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4948 -0.0591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0001 0.0591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2261 2.1490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2688 -2.1490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1245 -0.1353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4539 2.2351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7869 3.1068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2200 0.9404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2749 -0.9404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9513 3.1486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5437 -3.1485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1245 -3.3752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3720 3.4409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7216 -0.9453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7216 -2.5652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.7816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1314 2.6962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4949 -3.7816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3635 -2.6962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 11 2 0 0 0 0 1 42 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 12 2 0 0 0 0 2 43 1 0 0 0 0 3 42 1 0 0 0 0 4 42 1 0 0 0 0 5 43 1 0 0 0 0 6 43 1 0 0 0 0 7 66 1 0 0 0 0 8 67 1 0 0 0 0 9 68 1 0 0 0 0 10 69 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 22 1 0 0 0 0 14 15 2 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 21 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 26 2 0 0 0 0 20 28 1 0 0 0 0 21 27 2 0 0 0 0 21 29 1 0 0 0 0 22 25 1 0 0 0 0 22 30 2 0 0 0 0 23 31 1 0 0 0 0 23 49 1 0 0 0 0 24 32 2 0 0 0 0 24 50 1 0 0 0 0 25 39 2 0 0 0 0 26 35 1 0 0 0 0 26 51 1 0 0 0 0 27 36 1 0 0 0 0 27 52 1 0 0 0 0 28 37 2 0 0 0 0 28 53 1 0 0 0 0 29 38 2 0 0 0 0 29 54 1 0 0 0 0 30 41 1 0 0 0 0 30 55 1 0 0 0 0 31 40 2 0 0 0 0 31 56 1 0 0 0 0 32 40 1 0 0 0 0 32 57 1 0 0 0 0 33 35 2 0 0 0 0 33 37 1 0 0 0 0 33 42 1 0 0 0 0 34 36 2 0 0 0 0 34 38 1 0 0 0 0 34 43 1 0 0 0 0 35 58 1 0 0 0 0 36 59 1 0 0 0 0 37 60 1 0 0 0 0 38 61 1 0 0 0 0 39 44 1 0 0 0 0 39 62 1 0 0 0 0 40 63 1 0 0 0 0 41 44 2 0 0 0 0 41 64 1 0 0 0 0 44 65 1 0 0 0 0 M END $$$$