NCI:315291 BBtclserve11129919012D 0 0.00000 0.00000172097 67343-98-0 20 21 0 0 0 0 0 0 0 0 2 V2000 4.0823 0.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 -0.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 1.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 -1.3807 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2733 1.7071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8913 1.7071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2163 -1.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2163 -1.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 -2.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3222 1.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 2.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5823 2.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3502 -2.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -2.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 3.4672 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3502 -3.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -3.8807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 4.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3626 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2163 -4.3807 0.0000 C 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 3 5 1 0 0 0 0 3 6 2 0 0 0 0 4 7 2 0 0 0 0 4 8 2 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 9 13 2 0 0 0 0 9 14 1 0 0 0 0 11 15 1 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 20 2 0 0 0 0 11 12 2 0 0 0 0 17 20 1 0 0 0 0 M CHG 2 15 1 19 -1 M END