BTU2I4 -OEChem-04012112313D 38 41 0 0 0 0 0 0 0999 V2000 -4.8853 1.8496 0.4633 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2530 -0.3265 1.8207 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5796 0.2456 -0.3582 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5098 2.0440 0.4259 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4074 0.0320 0.1367 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2934 -2.0663 -0.4113 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9223 -2.2560 -0.5949 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5658 0.6954 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9881 0.8499 0.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9822 -0.1311 -0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1976 0.3953 -0.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9465 0.8917 -1.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8034 0.3492 1.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4352 0.7415 -1.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5783 0.1992 0.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1672 0.5472 0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0722 -1.4844 -0.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4999 -0.0950 0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9208 -0.1497 0.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3699 -1.2827 -0.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7921 -0.9751 0.8877 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3209 0.6269 -0.8582 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1255 -1.0261 0.4811 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 0.5759 -1.2649 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5565 -0.2507 -0.5952 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5264 1.1613 -2.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2722 0.1923 2.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 0.8975 -2.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0982 -0.0701 1.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 0.3663 -1.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3325 -1.7795 -0.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4718 -1.5898 1.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6647 1.3145 -1.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0324 -3.2372 -0.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9989 -1.8502 -0.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8280 -1.6703 1.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9927 1.1867 -2.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5950 -0.2889 -0.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 16 1 0 0 0 0 2 18 2 0 0 0 0 3 11 1 0 0 0 0 3 18 1 0 0 0 0 3 30 1 0 0 0 0 4 9 2 0 0 0 0 5 16 2 0 0 0 0 5 20 1 0 0 0 0 6 17 1 0 0 0 0 6 20 2 0 0 0 0 7 17 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 10 16 1 0 0 0 0 10 17 2 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 26 1 0 0 0 0 13 15 2 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 18 19 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 31 1 0 0 0 0 21 23 1 0 0 0 0 21 32 1 0 0 0 0 22 24 2 0 0 0 0 22 33 1 0 0 0 0 23 25 2 0 0 0 0 23 36 1 0 0 0 0 24 25 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 M END $$$$