NCI:175479 BBtclserve11129918082D 0 0.00000 0.00000129166 32248-54-7 31 36 0 0 0 0 0 0 0 0 2 V2000 2.0000 -1.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.2742 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 0.4330 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4392 0.4330 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.1401 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 1.8472 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4392 0.4330 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 0.4330 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 4.4392 1.8472 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 3.7321 2.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 3.5543 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3101 -3.5841 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2491 -3.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5429 -4.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0162 -3.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4210 -4.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7148 -5.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6540 -5.5543 0.0000 C 0 0 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 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 2 0 0 0 0 6 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 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 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 21 26 1 0 0 0 0 22 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 25 30 1 0 0 0 0 28 31 1 0 0 0 0 7 10 1 0 0 0 0 9 11 1 0 0 0 0 15 16 2 0 0 0 0 14 17 2 0 0 0 0 26 30 1 0 0 0 0 29 31 1 0 0 0 0 M CHG 3 9 1 14 1 15 1 M END