NCI:57770 BBtclserve11129917082D 0 0.00000 0.00000 48391 6632-21-9 22 22 0 0 0 0 0 0 0 0 2 V2000 4.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3302 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2321 -0.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2321 1.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8661 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.2500 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 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 2 0 0 0 0 5 11 2 0 0 0 0 6 12 1 0 0 0 0 6 13 2 0 0 0 0 9 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 17 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 18 19 1 0 0 0 0 M CHG 2 20 1 22 -1 M END