NCI:112499 BBtclserve11129917302D 0 0.00000 0.00000 85992 20096-32-6 23 25 0 0 0 0 0 0 0 0 2 V2000 4.9921 0.1171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9703 0.3250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 -0.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2793 1.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2709 -1.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6101 2.0192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2574 1.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2709 -1.6430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 -2.4520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9266 0.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5664 2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6175 -0.2102 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.9047 0.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5446 2.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2867 -0.9533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6394 -0.4181 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.2137 1.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 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 2 0 0 0 0 4 8 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 11 2 0 0 0 0 6 12 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 10 16 2 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 19 2 0 0 0 0 15 20 2 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 23 2 0 0 0 0 9 12 1 0 0 0 0 16 20 1 0 0 0 0 19 23 1 0 0 0 0 M CHG 2 17 1 22 -1 M END