BU18OZ -OEChem-04022112233D 31 31 0 0 0 0 0 0 0999 V2000 2.8902 -1.1432 -0.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0011 -0.7105 -0.0044 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6090 -0.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 -2.2285 -0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7550 -0.2354 -1.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8176 -0.3218 1.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4564 1.3126 0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5156 -0.8992 -0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8206 1.8738 0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7927 -0.3381 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6443 2.2182 0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9451 1.0485 0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1651 -0.5023 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8514 -2.6656 -0.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3349 -2.5426 -0.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3529 -2.5568 0.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4380 -1.0395 -1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3783 0.6342 -1.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0501 -0.0612 -2.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5166 -1.1369 1.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1415 -0.1962 2.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4234 0.5667 1.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4862 -1.9821 -0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9588 2.9519 0.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1988 2.2049 -0.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2677 2.1201 0.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2946 3.2591 0.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9066 1.5505 0.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9236 -1.2919 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3178 0.0834 0.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3194 0.0931 -0.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 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 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 10 2 0 0 0 0 8 23 1 0 0 0 0 9 12 2 0 0 0 0 9 24 1 0 0 0 0 10 12 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 M CHG 1 2 1 M END $$$$