BRTE39 -OEChem-04022113543D 31 33 0 0 0 0 0 0 0999 V2000 4.5296 -0.2130 -1.6136 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0651 -1.2508 0.4944 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7509 0.9288 0.0957 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1753 2.7458 -0.0763 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2816 -3.0234 0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6587 -0.7974 -0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6198 0.9708 0.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5983 0.0499 -0.6566 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -0.5428 0.5471 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4616 0.8144 -0.8215 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3787 1.7902 0.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9321 0.3651 1.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0900 -0.4039 1.6523 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4561 -1.0372 -0.8771 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0119 0.5283 -0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9585 1.5458 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2931 0.8991 -0.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5797 -1.8333 -0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3169 -0.1171 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0087 -1.4193 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2359 1.2729 -1.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2914 2.4601 1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4146 2.4130 -0.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2723 0.4903 2.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3343 -0.8728 2.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4409 -0.5561 -0.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5331 -2.0102 -1.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6724 -1.0254 0.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6097 1.9344 -0.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3484 0.2044 -0.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7678 -2.1914 -0.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 14 1 0 0 0 0 2 9 1 0 0 0 0 2 14 1 0 0 0 0 3 11 1 0 0 0 0 3 16 1 0 0 0 0 4 16 2 0 0 0 0 5 18 2 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 6 28 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 M END $$$$