BU4O6T -OEChem-04012116072D 36 38 0 1 0 0 0 0 0999 V2000 5.4432 0.1156 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.6636 1.2088 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5772 -0.3844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4727 2.6101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4945 2.8180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -1.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 0.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 1.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 -1.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 -0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 -1.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 1.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5772 1.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 -2.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9073 0.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 -2.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 1.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -3.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9073 1.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 0.2356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0538 1.0079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6553 1.6982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9063 -1.5744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 -1.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7122 -1.5744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6383 1.4256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9063 -3.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4443 -0.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7122 -3.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 2.2356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -4.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4443 1.4256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2424 3.3844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 15 1 0 0 0 0 2 22 1 0 0 0 0 4 22 2 0 0 0 0 5 6 1 0 0 0 0 5 15 2 0 0 0 0 6 22 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 8 11 2 0 0 0 0 8 13 1 0 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 16 1 0 0 0 0 11 26 1 0 0 0 0 12 17 1 0 0 0 0 12 27 1 0 0 0 0 13 18 2 0 0 0 0 13 28 1 0 0 0 0 14 19 2 0 0 0 0 14 29 1 0 0 0 0 16 20 2 0 0 0 0 16 30 1 0 0 0 0 17 21 2 0 0 0 0 17 31 1 0 0 0 0 18 20 1 0 0 0 0 18 32 1 0 0 0 0 19 21 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 M END $$$$