L6B3UQ -OEChem-05022322313D 37 39 0 0 0 0 0 0 0999 V2000 3.0084 0.1022 0.9212 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2335 -1.0534 -0.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5824 1.3444 1.4186 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.1269 1.6782 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8199 0.7449 0.1472 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5504 -0.1513 -0.6787 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8994 -0.4180 0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4372 0.8244 0.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 -0.7370 0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8781 -1.3079 -0.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2873 0.3313 0.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1562 -0.5647 -0.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6264 1.8785 0.7517 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7187 1.8653 0.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7473 1.6213 0.9095 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7813 -2.0842 0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5686 -2.6273 -0.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 -3.0113 -0.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8471 2.6039 -1.0593 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 0.8895 -1.6963 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4618 0.8762 -2.7272 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0158 2.8768 0.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7047 1.4785 0.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3867 2.5370 1.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3839 2.4547 1.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8016 -2.4469 0.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3265 -3.3478 -0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0572 -4.0440 -0.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -1.1161 -1.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8824 3.0106 -1.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2075 1.9372 -1.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5533 3.4343 -0.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3878 0.7097 -2.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3087 1.8792 -1.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4320 1.0587 -2.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5146 -0.0934 -3.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2953 1.6502 -3.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 2 12 2 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 6 20 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 13 1 0 0 0 0 9 11 2 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 17 2 0 0 0 0 11 15 1 0 0 0 0 13 15 2 0 0 0 0 13 22 1 0 0 0 0 14 19 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 16 18 2 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 M END $$$$