BTD8V6 -OEChem-04012120152D 45 48 0 1 0 0 0 0 0999 V2000 7.9698 -1.2978 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9488 -1.0937 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9631 -1.7082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9757 2.1618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2205 2.1618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.0239 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6255 0.4385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9071 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3036 -0.5521 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2891 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2831 -0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 1.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9225 1.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2737 1.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9131 -0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6028 0.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5707 0.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8926 -0.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6150 -1.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5940 -1.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2602 -2.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9067 -0.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2392 -2.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8856 -0.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5519 -1.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1086 -1.1407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 2.1828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1115 -1.3482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7340 0.0443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2088 0.7815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4716 1.2562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9648 0.5698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4795 -1.0145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0880 -2.1659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8451 -2.4152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1359 2.9859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3951 2.5169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8641 1.7761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0664 -2.9699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4936 -0.2231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6523 -2.6392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0795 0.1076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1588 -1.1004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 1 0 0 0 0 2 20 1 0 0 0 0 3 12 2 0 0 0 0 4 15 1 0 0 0 0 4 22 1 0 0 0 0 5 14 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 11 2 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 13 29 1 0 0 0 0 15 18 2 0 0 0 0 16 19 2 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 26 2 0 0 0 0 24 42 1 0 0 0 0 25 27 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 M END $$$$