NCI:315551 BBtclserve11129919012D 0 0.00000 0.00000172141 56047-87-1 65 76 0 0 0 0 0 0 0 0 2 V2000 8.0621 5.0449 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0621 6.0449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0621 5.0449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0621 5.0449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0621 4.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 3.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 2.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 0.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.4551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8792 0.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -0.4551 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.2451 0.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.9551 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4670 0.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6573 0.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.9551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.4551 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.7942 -1.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -2.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0261 0.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1011 -2.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4041 -3.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3986 -3.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8505 -1.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0261 -3.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4399 -3.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7466 -1.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5614 -2.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4241 -3.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7308 -1.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3895 -3.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5005 -2.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0695 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1566 -4.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2676 -2.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0537 -3.0813 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.9551 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.0957 -3.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0379 -3.2584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8766 -4.0655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2308 -2.0971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.4551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -4.8211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -3.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7681 -5.2778 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.5353 -5.9192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4096 -4.5106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1267 -6.0449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 20 2 0 0 0 0 16 21 1 0 0 0 0 17 22 2 0 0 0 0 18 23 1 0 0 0 0 18 24 1 0 0 0 0 19 25 2 0 0 0 0 21 26 2 0 0 0 0 23 27 1 0 0 0 0 23 28 1 0 0 0 0 24 29 1 0 0 0 0 24 30 2 0 0 0 0 25 31 1 0 0 0 0 26 32 1 0 0 0 0 27 33 2 0 0 0 0 28 34 1 0 0 0 0 28 35 2 0 0 0 0 29 36 1 0 0 0 0 30 37 1 0 0 0 0 31 38 2 0 0 0 0 31 39 1 0 0 0 0 32 40 2 0 0 0 0 32 41 1 0 0 0 0 34 42 1 0 0 0 0 38 43 1 0 0 0 0 39 44 2 0 0 0 0 40 45 1 0 0 0 0 41 46 2 0 0 0 0 42 47 2 0 0 0 0 42 48 1 0 0 0 0 43 49 2 0 0 0 0 45 50 2 0 0 0 0 47 51 1 0 0 0 0 48 52 2 0 0 0 0 49 53 1 0 0 0 0 50 54 1 0 0 0 0 51 55 2 0 0 0 0 53 56 2 0 0 0 0 53 57 2 0 0 0 0 53 58 1 0 0 0 0 54 59 2 0 0 0 0 54 60 2 0 0 0 0 54 61 1 0 0 0 0 55 62 1 0 0 0 0 62 63 2 0 0 0 0 62 64 2 0 0 0 0 62 65 1 0 0 0 0 9 10 1 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 26 27 1 0 0 0 0 25 30 1 0 0 0 0 29 34 2 0 0 0 0 33 35 1 0 0 0 0 36 37 2 0 0 0 0 44 49 1 0 0 0 0 46 50 1 0 0 0 0 52 55 1 0 0 0 0 M CHG 2 16 1 24 1 M END