B4XHT6 -OEChem-04022106592D 44 46 0 0 0 0 0 0 0999 V2000 14.1865 1.4588 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9904 -1.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9904 1.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6865 2.3248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6865 0.5927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -2.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3205 1.9588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8564 -0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7224 0.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1243 -0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9904 0.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1243 -1.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4544 1.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7224 1.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5884 -0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8564 -1.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5884 1.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4544 0.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2304 0.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2304 -1.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3243 -1.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3243 -0.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0525 0.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4602 -1.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1855 1.7688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5884 -0.6613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3933 -1.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5884 2.5788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9914 0.1487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2376 1.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2376 -2.1959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3205 2.5788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7886 0.2916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7425 0.4218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5895 0.6487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3625 1.4957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3353 -3.0486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1324 -3.0455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 -2.0430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.8908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 -3.1145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 7 1 0 0 0 0 1 23 1 0 0 0 0 2 12 1 0 0 0 0 2 16 1 0 0 0 0 3 11 2 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 13 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 16 2 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 10 19 1 0 0 0 0 12 20 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 17 1 0 0 0 0 14 28 1 0 0 0 0 15 18 2 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 22 2 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 3 0 0 0 0 25 26 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 M END $$$$