NCI:613257 BBtclserve11129919362D 0 0.00000 0.00000208257 999-99-9 43 45 0 0 0 0 0 0 0 0 2 V2000 2.4067 5.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 5.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 3.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 2.6149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7633 1.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7688 1.5968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 0.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0421 -0.0587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -0.6465 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6601 -0.0587 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.3511 0.8923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7171 -2.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7171 -3.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -3.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 -3.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 -2.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -1.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2672 0.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6502 -0.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0232 -1.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0132 -1.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6302 -0.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2572 0.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5832 -1.6465 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1191 -3.6465 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 -4.1465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6191 -4.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6191 -2.7805 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8942 1.5152 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.6202 -0.6223 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.2373 0.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9932 -1.5502 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.3862 -2.1962 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.7591 -3.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4583 -2.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3140 -1.8232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2373 0.0000 0.0000 Na 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -4.6465 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.7171 -5.1465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 -5.1465 0.0000 O 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 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 10 14 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 12 20 1 0 0 0 0 13 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 21 26 1 0 0 0 0 15 27 1 0 0 0 0 18 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 21 32 1 0 0 0 0 25 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 24 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 2 0 0 0 0 36 39 1 0 0 0 0 17 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 5 6 1 0 0 0 0 13 14 2 0 0 0 0 19 20 2 0 0 0 0 15 20 1 0 0 0 0 21 22 2 0 0 0 0 25 26 2 0 0 0 0 M CHG 6 13 1 31 -1 33 1 35 -1 41 1 43 -1 M END