B9TL8E -OEChem-04012117382D 45 48 0 0 0 0 0 0 0999 V2000 6.2731 -0.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2437 4.8092 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -4.2731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 3.3147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -2.6853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0527 3.4080 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2218 5.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 -5.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7218 4.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -5.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1391 3.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -3.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 2.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -2.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 0.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 -1.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1391 1.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -1.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 1.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1391 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 -0.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 -2.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7882 5.2693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0302 5.6068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2442 -5.8407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9155 -5.3530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1367 3.6904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2234 4.5156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7026 -5.3530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3738 -5.8407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7829 5.2241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2077 -4.0815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7362 3.6247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2721 -2.3753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6761 2.1247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1381 -0.8753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8702 2.1247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 -3.3053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6761 0.5047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 -0.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8702 0.5047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9440 -2.4953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 2 34 1 0 0 0 0 3 9 1 0 0 0 0 3 13 1 0 0 0 0 3 35 1 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 4 36 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 5 37 1 0 0 0 0 6 10 1 0 0 0 0 6 12 2 0 0 0 0 7 11 1 0 0 0 0 7 13 2 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 14 18 2 0 0 0 0 14 20 1 0 0 0 0 15 19 2 0 0 0 0 15 21 1 0 0 0 0 16 22 2 0 0 0 0 16 24 1 0 0 0 0 17 23 2 0 0 0 0 17 25 1 0 0 0 0 18 22 1 0 0 0 0 18 38 1 0 0 0 0 19 23 1 0 0 0 0 19 39 1 0 0 0 0 20 24 2 0 0 0 0 20 40 1 0 0 0 0 21 25 2 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 M END $$$$