BUF80V -OEChem-04022105102D 49 52 0 1 0 0 0 0 0999 V2000 5.3884 -0.5796 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3564 -3.8802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5474 0.7076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8564 1.6586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 1.0677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3564 0.1198 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1654 0.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8564 1.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3564 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4442 2.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5963 0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2224 -1.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4904 -1.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4387 2.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0374 3.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2224 -2.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4904 -2.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3564 -2.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 0.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0265 3.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6252 4.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -0.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6197 4.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 1.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 -0.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4374 -0.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 1.1188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9088 -0.1617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4754 0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7318 0.9598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7594 -1.0702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9534 -1.0702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9821 1.6741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6909 1.7967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4208 3.4460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7594 -2.6902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9534 -2.6902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6431 3.1073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3730 4.7566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9842 4.5873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2879 2.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6142 -1.1349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0225 -1.3494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8981 -1.3035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8522 -0.4279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7472 1.5336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -0.0510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8933 -4.1902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 18 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 11 1 0 0 0 0 4 8 2 0 0 0 0 5 11 1 0 0 0 0 5 19 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 10 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 12 16 1 0 0 0 0 12 32 1 0 0 0 0 13 17 2 0 0 0 0 13 33 1 0 0 0 0 14 20 1 0 0 0 0 14 35 1 0 0 0 0 15 21 2 0 0 0 0 15 36 1 0 0 0 0 16 18 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 19 22 1 0 0 0 0 19 24 2 0 0 0 0 20 23 2 0 0 0 0 20 39 1 0 0 0 0 21 23 1 0 0 0 0 21 40 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 41 1 0 0 0 0 24 27 1 0 0 0 0 24 42 1 0 0 0 0 25 28 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 M END $$$$