NCI:100053 BBtclserve11129917252D 0 0.00000 0.00000 78589 7115-43-7 24 25 0 0 0 0 0 0 0 0 2 V2000 4.5981 0.8898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3777 0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5686 2.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.6102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 0.0049 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8255 3.0534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5468 2.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1102 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5366 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9535 3.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8898 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7445 -1.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9481 3.6102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.1102 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 -3.6102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6102 0.0000 O 0 5 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 1 0 0 0 0 3 6 2 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 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 2 0 0 0 0 8 15 1 0 0 0 0 11 16 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 19 2 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 19 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 9 11 1 0 0 0 0 14 19 1 0 0 0 0 M CHG 4 12 1 18 -1 22 1 24 -1 M END