BTU41L -OEChem-04022111333D 42 44 0 1 0 0 0 0 0999 V2000 1.7313 0.7436 0.9430 S 0 0 1 0 0 0 0 0 0 0 0 0 -5.7213 -0.3896 0.2082 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7836 2.1871 0.5211 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0569 0.9290 0.9044 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2428 -1.0087 0.1817 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4209 1.2075 -0.9324 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1515 0.1748 0.5676 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6171 -1.0300 0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0589 0.1792 0.6561 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5215 0.4351 0.6151 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3719 -0.5880 0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5394 -0.2190 -0.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2303 0.6881 -0.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4862 -2.0468 -0.3106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8656 -1.8077 -0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0192 0.0305 -0.4022 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1811 0.1377 -1.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9168 1.6906 0.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8837 -0.9318 0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2483 -0.6694 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7002 0.5304 -0.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7544 1.4273 -0.9653 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2229 -1.6703 0.5628 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0743 1.8715 1.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8961 1.3843 0.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0996 0.0584 -1.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3364 -1.2822 -0.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4235 1.2088 -1.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1026 -2.9978 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5471 -2.5880 -0.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0085 -0.4072 -1.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5950 0.9373 -2.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6617 -0.5758 -2.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7332 1.2154 0.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3247 2.5327 -0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2179 2.0815 1.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5121 -1.8612 0.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7571 0.7684 -0.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0550 2.3776 -1.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3842 -1.5165 1.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8603 -2.6917 0.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1869 -1.5895 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 24 1 0 0 0 0 5 8 1 0 0 0 0 5 9 2 0 0 0 0 6 16 2 0 0 0 0 6 22 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 2 0 0 0 0 10 25 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 19 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$