8 7 0 0 0 0 0 0 0 0 1 V2000 0.7000 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -0.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7000 0.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7042 -0.0625 0.0000 As 0 3 0 0 0 0 0 0 0 0 0 0 -0.0042 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1167 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4083 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 4 1 0 0 0 0 8 4 1 0 0 0 0 M CHG 2 2 -1 4 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD01311729 > FLUKA > 11093 > - > - > - > - > 16260579 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.0831 1.2405 0.0000 As 0 0 0 0 0 0 0 0 0 0 0 0 0.0831 0.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0572 1.2405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0572 1.2405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0831 2.0140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7736 0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6102 0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0831 -1.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0831 -2.0140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6102 -0.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7736 -0.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 1 4 1 0 1 5 1 0 2 6 2 0 2 7 1 0 8 10 1 0 8 9 1 0 7 10 2 0 6 11 1 0 8 11 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00007819 > FLUKA > 09317 > SIGMA > A9258 > - > - > 16260579 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.2199 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2199 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9344 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6488 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6488 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9344 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4921 0.4118 0.0000 As 0 0 0 0 0 0 0 0 0 0 0 0 0.4921 1.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4921 -0.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6488 0.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4921 -1.2354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 2 7 1 0 0 0 7 8 2 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 1 11 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00007630 > ALDRICH > 139025 > - > - > - > - > 16260579 $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 -0.3051 -0.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3051 -0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4094 -1.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1239 -0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1239 -0.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4094 0.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8359 0.3473 0.0000 As 0 0 0 0 0 0 0 0 0 0 0 0 1.8359 1.3012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7898 0.3473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8359 -0.4777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3608 0.5192 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0753 0.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0753 -0.7183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7898 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0195 -1.3012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 7 8 2 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 1 11 1 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 12 14 1 0 0 0 2 15 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00019936 > SIGMA > A0259 > - > - > - > - > 16260579 $$$$