BT84EL -OEChem-04012117082D 39 40 0 1 0 0 0 0 0999 V2000 6.4302 -2.4945 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.0125 -3.1989 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -0.0299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6723 -1.7900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8424 -1.6854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 1.5579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0180 -3.3035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2392 -1.9067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6212 -3.0822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 4.5579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0070 -3.0944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1170 -4.1935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9079 -2.2044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 1.5579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 3.0579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 -0.9809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2601 -0.9809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7601 0.5579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9511 -0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8479 -1.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 2.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 2.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 3.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 3.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8724 -0.8840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6477 -0.8840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3125 0.8394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2906 -2.0618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0188 -2.3859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8711 0.8856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5392 -0.1357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9245 -2.3564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 1.7479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 3.3679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 3.3679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1744 -1.2901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3714 -3.5960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6154 -4.5579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 2 7 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 2 13 2 0 0 0 0 3 16 1 0 0 0 0 3 18 1 0 0 0 0 17 4 1 1 0 0 0 4 33 1 0 0 0 0 5 20 1 0 0 0 0 6 22 2 0 0 0 0 8 37 1 0 0 0 0 10 25 2 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 18 14 1 6 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 15 22 1 0 0 0 0 15 25 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 6 0 0 0 16 26 1 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 19 21 2 0 0 0 0 20 29 1 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 21 32 1 0 0 0 0 23 24 2 0 0 0 0 23 34 1 0 0 0 0 24 25 1 0 0 0 0 24 36 1 0 0 0 0 M END $$$$