B5P9TH -OEChem-04042105493D 42 42 0 1 0 0 0 0 0999 V2000 1.2272 -2.1633 0.6183 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 1.7372 -1.8497 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7904 -2.5987 -0.9562 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9236 0.3773 -0.0798 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5713 3.3809 0.4033 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3087 0.3965 -0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0263 0.4718 0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9581 -0.3330 -0.7859 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8865 1.9597 0.2551 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1163 1.1822 1.6482 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4371 -0.8891 1.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1636 1.3716 -0.6824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2951 1.7953 -0.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0576 -1.7969 -0.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8860 0.4306 -0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6716 -0.5904 -0.9802 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6303 0.2259 1.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2169 -1.8506 -0.7351 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1756 -1.0345 1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9688 -2.0726 0.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1748 1.4202 -1.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9946 -0.0921 -1.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9322 1.0749 0.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6456 -0.3595 -1.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8298 1.4985 1.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6948 0.0816 0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3359 0.5321 2.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6663 2.0868 1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7159 1.4999 2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1471 -0.7474 2.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9424 -1.4929 0.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6005 -1.4561 1.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9725 2.5438 0.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3053 1.9950 -1.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3812 3.4914 0.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6105 3.8456 -0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 -0.4280 -1.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7946 1.0271 1.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3055 -3.1181 0.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0555 -2.6590 -1.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7604 -1.2078 2.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3930 -3.0540 0.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 39 1 0 0 0 0 2 12 2 0 0 0 0 3 14 2 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 4 26 1 0 0 0 0 5 9 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 23 1 0 0 0 0 8 14 1 0 0 0 0 8 24 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 25 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 37 1 0 0 0 0 17 19 2 0 0 0 0 17 38 1 0 0 0 0 18 20 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 M END $$$$