NCI:261565 BBtclserve11129918362D 0 0.00000 0.00000155928 60279-68-7 39 44 0 0 0 0 0 0 0 0 2 V2000 4.2241 0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2141 0.5878 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6071 1.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8511 -0.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0231 0.0000 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 5.5231 1.5388 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 3.9800 2.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6170 1.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4682 -1.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8611 -0.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8322 -0.5878 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.2141 -0.5878 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 6.8322 0.5878 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 6.5231 1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 2.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0952 -2.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4881 -1.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8222 -0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5231 -1.5388 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 5.5231 -1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1109 2.3479 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 2.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1052 -2.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4392 -1.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1952 0.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9354 -2.3479 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 3.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0662 -2.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4292 -1.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5781 1.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1852 0.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3421 -3.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6833 -2.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0463 -1.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9511 2.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5582 1.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6733 -2.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9411 2.3366 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 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 4 9 2 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 8 16 2 0 0 0 0 9 17 1 0 0 0 0 10 18 2 0 0 0 0 11 19 2 0 0 0 0 11 20 1 0 0 0 0 12 21 2 0 0 0 0 14 22 1 0 0 0 0 15 23 2 0 0 0 0 17 24 2 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 25 29 2 0 0 0 0 25 30 1 0 0 0 0 26 31 2 0 0 0 0 26 32 1 0 0 0 0 27 33 1 0 0 0 0 29 34 1 0 0 0 0 30 35 2 0 0 0 0 31 36 1 0 0 0 0 32 37 2 0 0 0 0 34 38 2 0 0 0 0 36 39 2 0 0 0 0 13 14 2 0 0 0 0 20 21 1 0 0 0 0 16 23 1 0 0 0 0 18 24 1 0 0 0 0 35 38 1 0 0 0 0 37 39 1 0 0 0 0 M CHG 6 2 1 6 -1 11 1 12 1 13 1 20 -1 M END