NCI:268827 BBtclserve11129918392D 0 0.00000 0.00000158067 999-99-9 67 78 0 0 0 0 0 0 0 0 2 V2000 6.6328 3.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6547 3.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3020 3.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9855 4.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2801 3.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9929 2.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2946 5.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0074 4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9492 2.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9492 4.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6621 1.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6254 6.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3383 4.9056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6402 1.6057 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.9492 2.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9492 4.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 5.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4492 1.0179 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 10.2583 1.6057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4492 3.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9781 6.5998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2583 0.4302 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.2583 0.4302 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.6402 0.4302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6402 0.4302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 7.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9493 -0.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2364 0.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9493 -0.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2364 0.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9493 -0.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9493 -0.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6184 -1.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9055 -0.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6184 -1.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9055 -0.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4493 -1.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4493 -1.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5965 -1.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9493 -2.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5965 -1.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9493 -2.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9493 -2.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9493 -2.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0552 -2.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2657 -1.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7462 -3.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2438 -1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4154 -4.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5528 -0.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3935 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1063 -5.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5310 -0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8837 0.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0626 -4.9056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7755 -6.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8400 0.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1927 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7536 -5.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1709 1.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4228 -6.5998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4799 2.2129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1137 -7.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4009 -6.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4580 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8107 2.9560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 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 1 0 0 0 0 5 10 1 0 0 0 0 6 11 2 0 0 0 0 7 12 1 0 0 0 0 8 13 2 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 16 2 0 0 0 0 12 17 2 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 15 20 2 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 18 24 1 0 0 0 0 18 25 1 0 0 0 0 21 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 2 0 0 0 0 22 29 1 0 0 0 0 23 30 2 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 28 34 1 0 0 0 0 29 35 2 0 0 0 0 30 36 1 0 0 0 0 31 37 2 0 0 0 0 32 38 2 0 0 0 0 33 39 2 0 0 0 0 34 40 2 0 0 0 0 34 41 1 0 0 0 0 36 42 2 0 0 0 0 36 43 1 0 0 0 0 38 44 1 0 0 0 0 39 45 1 0 0 0 0 40 46 1 0 0 0 0 42 47 1 0 0 0 0 46 48 2 0 0 0 0 47 49 2 0 0 0 0 48 50 1 0 0 0 0 49 51 1 0 0 0 0 50 52 2 0 0 0 0 50 53 1 0 0 0 0 51 54 2 0 0 0 0 51 55 1 0 0 0 0 52 56 1 0 0 0 0 53 57 2 0 0 0 0 54 58 1 0 0 0 0 55 59 2 0 0 0 0 56 60 2 0 0 0 0 58 61 2 0 0 0 0 60 62 1 0 0 0 0 61 63 1 0 0 0 0 62 64 1 0 0 0 0 62 65 1 0 0 0 0 63 66 1 0 0 0 0 63 67 1 0 0 0 0 11 14 1 0 0 0 0 13 17 1 0 0 0 0 18 19 1 0 0 0 0 16 20 1 0 0 0 0 30 32 1 0 0 0 0 28 33 1 0 0 0 0 35 40 1 0 0 0 0 37 42 1 0 0 0 0 43 44 2 0 0 0 0 41 45 2 0 0 0 0 57 60 1 0 0 0 0 59 61 1 0 0 0 0 M CHG 3 14 1 22 1 23 1 M END