NCI:641217 BBtclserve11129919582D 0 0.00000 0.00000222450 999-99-9 31 34 0 0 0 0 0 0 0 0 2 V2000 2.8660 -2.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 -2.8063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2709 -3.6153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 -4.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9921 -5.3753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9921 -1.8552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3230 -1.1121 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6320 -0.1610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3448 -1.3200 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9703 -1.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6394 -2.3904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2793 -0.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6101 0.0469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2574 -0.4883 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5664 0.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5175 0.7718 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5175 1.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5664 2.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9787 1.2718 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.2606 2.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0527 3.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1017 3.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3585 3.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8937 4.7062 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.6369 5.3753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9427 5.0152 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 1 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 5 9 1 0 0 0 0 9 10 2 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 11 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 20 24 1 0 0 0 0 22 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 23 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 5 6 1 0 0 0 0 8 9 1 0 0 0 0 23 24 1 0 0 0 0 27 28 2 0 0 0 0 M CHG 4 12 1 14 -1 29 1 31 -1 M END