NCI:614796 BBtclserve11129919362D 0 0.00000 0.00000208745 999-99-9 36 42 0 0 0 0 0 0 0 0 3 V2000 2.8916 1.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5825 0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2517 -0.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2298 -0.0635 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5388 0.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8697 1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2224 2.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5314 3.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5096 3.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1787 2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5388 0.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8479 -0.0635 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.6569 -0.6513 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 5.0388 -0.6513 0.0000 Mn 0 2 0 0 0 0 0 0 0 0 0 0 5.3479 -1.6023 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 5.9899 -0.3423 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.5777 -1.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5722 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9789 -0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3911 0.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 0.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9899 -1.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0388 -1.6513 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0878 -1.9603 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 3.5000 -1.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0878 -0.3423 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 8.9735 -0.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3802 0.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7924 1.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7979 1.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3479 -1.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9356 -2.4114 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5289 -3.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.1513 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2614 -1.0630 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 6 10 2 0 0 0 0 5 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 4 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 14 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 14 26 1 0 0 0 0 19 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 20 30 1 0 0 0 0 13 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 25 34 1 0 0 0 0 34 35 1 0 0 0 0 5 6 1 0 0 0 0 9 10 1 0 0 0 0 12 14 1 0 0 0 0 20 21 2 0 0 0 0 22 23 2 0 0 0 0 25 26 2 0 0 0 0 29 30 2 0 0 0 0 15 31 2 0 0 0 0 M CHG 8 4 1 12 1 13 -1 14 2 15 1 16 1 23 1 24 -1 M CHG 2 26 1 36 -1 M END