NCI:100054 BBtclserve11129917252D 0 0.00000 0.00000 78590 7115-41-5 23 23 0 0 0 0 0 0 0 0 1 V2000 5.4543 1.8522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3203 2.3522 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4543 0.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1863 2.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8203 1.4862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8203 3.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 0.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 0.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 0.5734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9543 -0.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2143 0.5734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9543 -0.6866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3665 -1.4957 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9575 -0.0957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -1.0738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7732 -2.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9086 0.2133 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1854 -3.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8596 0.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5995 1.1644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2176 -0.7378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 13 16 1 0 0 0 0 13 17 2 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 2 0 0 0 0 19 23 2 0 0 0 0 10 12 1 0 0 0 0 M END