NCI:647262 BBtclserve11129920022D 0 0.00000 0.00000225299 999-99-9 41 44 0 0 0 0 0 0 0 0 2 V2000 5.1753 1.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3162 0.9701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3012 0.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7692 1.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0734 2.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7412 -0.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1834 -0.9298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6234 -1.8278 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0656 -2.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0680 -2.5899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5056 -3.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9478 -4.3859 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9844 -5.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3308 -3.5990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9095 -4.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7592 1.8229 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.3762 1.0359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1322 2.7507 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.2452 3.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1112 3.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1112 4.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2452 5.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 4.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 3.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9772 3.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8433 3.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8433 4.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9773 5.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5131 3.3852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0087 -4.7296 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 4.2242 2.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6071 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6171 1.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2441 2.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8612 3.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8512 3.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9802 0.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3631 -0.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 -0.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4682 3.9840 0.0000 O 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 3 4 2 0 0 0 0 1 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 4 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 5 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 19 24 2 0 0 0 0 20 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 21 28 1 0 0 0 0 24 29 1 0 0 0 0 1 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 31 36 2 0 0 0 0 32 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 33 40 1 0 0 0 0 36 41 1 0 0 0 0 4 5 1 0 0 0 0 23 24 1 0 0 0 0 27 28 2 0 0 0 0 35 36 1 0 0 0 0 39 40 2 0 0 0 0 M CHG 4 12 1 16 1 18 -1 30 -1 M END