BU4O6T -OEChem-04022103503D 36 38 0 1 0 0 0 0 0999 V2000 0.5139 -0.6817 -0.4570 S 0 0 1 0 0 0 0 0 0 0 0 0 4.0550 -1.0487 1.1411 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6713 -2.1383 -0.1974 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4719 -1.1453 0.0902 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5605 0.6000 -0.8070 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8582 0.2068 -0.9180 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0256 -0.1694 0.4342 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3078 1.3212 0.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1933 -1.0528 0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6218 0.2133 0.6526 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7596 2.0823 1.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7052 -1.8763 1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1136 1.9208 -0.9918 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7733 -1.0554 -1.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0303 0.0216 0.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0173 3.4432 1.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7973 -2.7025 0.8872 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3713 3.2815 -1.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8652 -1.8815 -1.3841 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8232 4.0427 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3773 -2.7051 -0.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3470 -0.6764 0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7614 -0.3092 1.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4029 1.2837 0.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4771 -0.1338 1.6797 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9166 1.6272 2.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2659 -1.8879 2.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7773 1.3597 -1.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3891 -0.4366 -1.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3697 4.0357 2.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1958 -3.3441 1.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2235 3.7481 -2.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3150 -1.8862 -2.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0246 5.1020 -0.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2270 -3.3490 -0.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3981 0.5872 -1.6868 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 $$$$