NCI:523277 BBtclserve11129919312D 0 0.00000 0.00000202562 999-99-9 36 40 0 0 0 0 0 0 0 0 2 V2000 5.4381 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4381 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4087 3.4945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2177 2.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5721 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3869 3.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4256 1.1151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8868 2.8364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5721 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7936 4.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4381 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2936 5.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7717 4.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4381 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9627 6.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8763 5.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5721 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7548 7.2033 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4676 -3.4945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6586 -2.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4980 7.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8038 7.5123 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4894 -3.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4506 -1.1151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9894 -2.8364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0827 -4.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -5.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1045 -4.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9135 -6.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -7.2033 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3783 -7.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0725 -7.5123 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 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 2 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 11 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 26 2 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 8 10 1 0 0 0 0 12 14 1 0 0 0 0 18 19 2 0 0 0 0 26 28 1 0 0 0 0 32 33 2 0 0 0 0 M CHG 4 21 1 25 -1 34 1 36 -1 M END