BUT5J4 -OEChem-04042103043D 55 58 0 1 0 0 0 0 0999 V2000 0.4320 -2.3812 -0.5614 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3961 -3.3516 1.6512 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3748 -1.7166 2.9791 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4148 -1.4471 0.5128 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7635 -0.5464 -0.9037 N 0 0 1 0 0 0 0 0 0 0 0 0 4.5204 -0.8063 0.8662 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8507 -0.0101 -1.3624 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7334 1.4120 -1.9867 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8346 1.3367 -0.8443 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3108 4.0535 0.5815 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9814 -2.1495 -0.3688 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1963 -2.0365 1.1351 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1324 -1.4803 1.6066 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1191 -2.2017 0.6943 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3639 -0.8835 -1.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6784 -0.4847 -0.4195 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0103 0.8640 -1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6347 -1.4013 -1.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5509 -1.6050 1.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9888 -0.1004 -0.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5246 1.7715 -0.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0164 -1.4802 -1.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5136 0.8867 -1.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3386 2.4880 -0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2600 1.8955 1.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4691 0.9379 -2.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 3.3286 0.7439 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1178 -1.0803 -1.7863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8092 2.7358 2.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6234 3.4525 1.9227 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4884 -3.0264 -0.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0474 -1.4306 1.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1703 -0.3977 1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4108 -3.1867 1.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1293 -0.9905 -2.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7029 -0.0862 -0.7731 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2437 -3.6753 1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.3127 3.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5672 1.1465 -2.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0836 1.0686 -1.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2755 -2.4361 -1.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -1.0729 -2.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6117 -2.3121 2.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1223 -1.8940 -0.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7647 2.3951 -1.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1850 1.3417 1.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8721 1.3814 -2.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3815 2.8318 3.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0916 -1.1662 -1.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0686 -0.6622 -2.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4191 0.9463 -0.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1930 2.0549 -1.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2828 4.1041 2.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6392 4.6608 1.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8477 3.9595 -0.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 2 12 1 0 0 0 0 2 37 1 0 0 0 0 3 13 1 0 0 0 0 3 38 1 0 0 0 0 4 14 1 0 0 0 0 4 16 1 0 0 0 0 4 19 1 0 0 0 0 5 15 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 19 2 0 0 0 0 6 20 1 0 0 0 0 7 16 2 0 0 0 0 7 26 1 0 0 0 0 8 23 1 0 0 0 0 8 26 2 0 0 0 0 9 23 1 0 0 0 0 9 51 1 0 0 0 0 9 52 1 0 0 0 0 10 27 1 0 0 0 0 10 54 1 0 0 0 0 10 55 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 22 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 20 23 2 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 28 2 0 0 0 0 22 44 1 0 0 0 0 24 27 1 0 0 0 0 24 45 1 0 0 0 0 25 29 2 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 27 30 2 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 48 1 0 0 0 0 30 53 1 0 0 0 0 M END $$$$