BU4D1O -OEChem-04022115413D 37 40 0 0 0 0 0 0 0999 V2000 4.5611 1.6856 1.2260 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3630 -2.6250 -0.9410 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5515 2.0777 -0.3311 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1962 0.5146 -0.4567 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1621 -1.3630 2.3962 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0442 -1.7555 -0.1997 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3980 0.0677 -1.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9292 -0.0331 -1.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9683 -0.4142 0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3594 -0.2883 0.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1948 0.6637 -2.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0932 0.9930 -0.6755 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2595 1.1715 0.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1516 0.3131 -0.7684 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5127 0.6270 0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1965 -1.0163 1.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5685 0.7862 -1.9436 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8903 -0.7787 1.4183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1588 2.4752 0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9382 -0.7085 -0.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8341 -1.4663 2.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3386 2.8773 1.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2409 -0.9878 -0.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6843 -2.8158 -0.6401 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -1.0540 -1.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7231 0.1266 -2.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7603 1.0417 -3.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4270 -0.4098 -0.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2256 0.4169 -0.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 -1.1478 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1863 1.2510 -2.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9539 -0.7134 1.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2872 3.1143 0.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2701 -1.9380 2.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5415 3.8138 1.8594 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1104 -0.3454 -0.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1855 -3.7607 -0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 12 2 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 28 1 0 0 0 0 5 18 2 0 0 0 0 5 21 1 0 0 0 0 6 20 1 0 0 0 0 6 24 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 12 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 14 1 0 0 0 0 10 18 1 0 0 0 0 11 17 1 0 0 0 0 11 27 1 0 0 0 0 13 15 2 0 0 0 0 13 19 1 0 0 0 0 14 17 2 0 0 0 0 14 29 1 0 0 0 0 15 20 1 0 0 0 0 16 21 2 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 23 2 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 M END $$$$