NCI:401528 BBtclserve11129919222D 0 0.00000 0.00000192063 7478-78-6 41 44 0 0 0 0 0 0 0 0 2 V2000 6.1945 -2.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1945 -1.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1945 -0.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2435 -2.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0605 -2.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0605 -0.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2434 -0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9344 -2.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6557 -1.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9266 -1.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9266 -0.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0605 0.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9563 -3.1790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6036 -3.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7926 -0.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9265 1.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 -4.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7926 -0.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2926 -1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7926 0.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -4.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2926 -1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6586 1.2890 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3601 -5.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2926 -1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6586 2.2890 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7926 -1.9430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7926 -0.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5246 2.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5246 3.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3906 2.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6586 4.2890 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.3906 4.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2567 2.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6586 5.2890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7926 3.7890 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12.2567 3.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1227 4.2890 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 13.9887 3.7890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1227 5.2890 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 20 23 2 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 32 35 2 0 0 0 0 33 36 2 0 0 0 0 33 37 1 0 0 0 0 34 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 16 20 1 0 0 0 0 35 38 1 0 0 0 0 M CHG 4 33 1 37 -1 39 1 41 -1 M END