NCI:416 BBtclserve11129916382D 0 0.00000 0.00000 415 5337-16-6 37 38 0 0 0 0 0 0 0 0 2 V2000 5.7564 -0.6762 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.5844 0.3090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7415 -0.5042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7712 -0.8480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7564 -1.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6454 0.6526 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.5053 -1.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0851 0.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8903 -2.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6224 -2.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7063 0.9963 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3017 -0.2865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9890 1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4462 -0.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3283 -2.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0703 0.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4437 1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8903 -3.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6224 -3.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2108 1.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9391 0.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3476 2.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9741 1.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7564 -3.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2108 1.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7153 2.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1110 -0.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6912 3.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3178 2.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7564 -4.6762 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.6763 3.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8903 -5.1762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6224 -5.1762 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0200 4.4090 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.0051 4.5809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3786 5.1762 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 2 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 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 6 12 2 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 10 19 2 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 13 22 2 0 0 0 0 13 23 1 0 0 0 0 18 24 2 0 0 0 0 20 25 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 2 0 0 0 0 24 31 1 0 0 0 0 29 32 2 0 0 0 0 31 33 2 0 0 0 0 31 34 1 0 0 0 0 32 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 19 24 1 0 0 0 0 30 32 1 0 0 0 0 M CHG 4 31 1 34 -1 35 1 37 -1 M END