B68JFI -OEChem-04022113123D 47 49 0 1 0 0 0 0 0999 V2000 -4.9639 0.4770 0.1784 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7414 -0.2236 -0.1545 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5770 2.6328 -0.5559 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2657 0.5714 1.9412 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9242 0.1224 -0.9887 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9302 -1.8184 -0.6187 N 0 0 1 0 0 0 0 0 0 0 0 0 -2.9528 -0.3688 -0.9060 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5248 -1.8698 0.7969 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5668 0.2723 0.3481 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3305 -0.7487 1.4652 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4743 0.0365 -1.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0081 -1.5957 0.8195 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6401 -0.2468 0.1835 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2083 -2.4772 -0.8683 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3329 1.7102 -0.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 0.2085 0.8205 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8244 1.7810 -0.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9935 0.1856 0.3441 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0241 0.5921 1.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2840 -0.2420 -0.9515 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3450 0.5704 0.7444 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6050 -0.2635 -1.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6354 0.1427 -0.5513 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9282 0.5519 -0.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5032 -0.1383 -1.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7164 -2.8443 1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0752 1.2153 0.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2817 -1.1337 1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7872 -0.3060 2.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0398 -0.4939 -1.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4011 1.1031 -1.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6371 -1.6246 1.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4805 -2.4042 0.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8593 0.5555 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0366 -2.0868 -0.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1216 -3.5495 -0.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4802 -2.3843 -1.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1706 1.0261 -1.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1100 2.7684 -0.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2879 1.6309 0.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8176 0.9287 2.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5134 -0.5668 -1.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0962 0.8991 1.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8257 -0.5975 -2.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8918 0.4710 -0.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9776 -0.1023 0.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7994 1.6045 0.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 13 1 0 0 0 0 2 16 1 0 0 0 0 3 15 2 0 0 0 0 4 16 2 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 13 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 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 41 1 0 0 0 0 20 22 2 0 0 0 0 20 42 1 0 0 0 0 21 23 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 M END $$$$