NCI:89980 BBtclserve11129917202D 0 0.00000 0.00000 71121 3129-33-7 35 37 0 0 0 0 0 0 0 0 2 V2000 3.3001 -3.0168 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4341 -3.5168 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3001 -2.0168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1661 -3.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0322 -3.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1661 -4.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8982 -3.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0322 -2.0168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0322 -5.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8982 -4.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2231 -1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8412 -1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0321 -6.0168 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5322 -0.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5322 -0.4780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8982 -6.5168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1661 -6.5168 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9444 0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 1.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7633 2.0536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3456 1.3491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 2.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7524 2.2627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9334 0.5401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 3.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 3.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 3.6717 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9890 4.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5713 3.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 2.7581 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.9836 4.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3903 5.7078 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3848 5.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8025 6.5168 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 11 14 2 0 0 0 0 12 15 2 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 26 29 2 0 0 0 0 27 30 2 0 0 0 0 27 31 1 0 0 0 0 28 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 9 10 1 0 0 0 0 14 15 1 0 0 0 0 29 32 1 0 0 0 0 M CHG 8 1 1 2 -1 13 1 17 -1 27 1 31 -1 33 1 35 -1 M END