NCI:302689 BBtclserve11129918512D 0 0.00000 0.00000168301 59776-85-1 38 40 0 0 0 0 0 0 0 0 3 V2000 2.7896 0.0251 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2625 -0.8247 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3171 0.9065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 -0.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 0.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 -0.0064 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 0.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 1.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5942 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5942 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2791 2.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6804 1.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5942 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5942 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2846 2.7717 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.8669 3.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2381 0.8191 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.2682 2.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.5942 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8779 3.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6968 1.9627 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8615 3.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2358 0.8871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7983 -0.0789 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.0942 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.4492 4.1807 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.0425 5.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4438 4.0761 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 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 16 2 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 14 21 2 0 0 0 0 15 22 2 0 0 0 0 15 23 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 18 26 1 0 0 0 0 18 27 2 0 0 0 0 21 28 1 0 0 0 0 24 29 2 0 0 0 0 24 30 1 0 0 0 0 25 31 2 0 0 0 0 26 32 2 0 0 0 0 26 33 1 0 0 0 0 28 34 2 0 0 0 0 28 35 1 0 0 0 0 31 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 7 9 1 0 0 0 0 16 21 1 0 0 0 0 27 31 1 0 0 0 0 M CHG 8 1 1 2 -1 13 1 15 1 20 -1 23 -1 24 1 26 1 M CHG 6 28 1 30 -1 33 -1 35 -1 36 1 38 -1 M END