BETD61 -OEChem-04022104063D 40 43 0 1 0 0 0 0 0999 V2000 1.3772 0.7803 0.4169 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1550 -0.2019 -0.2391 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2653 0.0257 -1.3889 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1323 -1.1263 0.3038 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8838 1.0391 0.2294 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0995 1.7551 0.0413 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5498 -0.5908 0.0733 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5597 -0.0525 1.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3370 -0.2546 0.1897 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8019 -0.1935 -1.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5932 -1.1459 0.7971 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2139 1.2975 0.7594 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9635 -1.0781 -0.6937 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6041 1.3028 -0.7264 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5354 -1.5116 0.5124 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1612 0.1701 0.3147 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2414 0.7195 0.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3989 1.4112 -0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8661 -0.8628 -0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8453 0.1064 -0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5050 -1.5895 -0.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2749 -0.0584 2.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5562 -1.1191 -1.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2836 0.6068 -1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1966 -2.1375 1.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4905 -0.9994 1.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1054 1.4530 1.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5285 2.1260 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7259 -2.0316 -1.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0484 -0.9556 -0.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6786 1.4994 -0.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1036 2.1321 -1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8061 -2.3665 -0.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6531 -1.8155 1.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6915 2.0354 0.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0915 2.2449 -0.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0682 -1.9273 -0.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5938 -1.6483 -0.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2298 -2.0952 0.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0719 -2.0829 -1.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 16 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 2 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 5 35 1 0 0 0 0 6 17 1 0 0 0 0 6 18 2 0 0 0 0 7 17 2 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 18 20 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 M END $$$$