BTW1P5 -OEChem-04022107033D 42 43 0 0 0 0 0 0 0999 V2000 5.5382 -2.3741 1.0841 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8894 -1.0656 0.0042 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5267 -2.3592 -1.0903 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 0.5899 0.0008 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6203 2.3706 0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7646 -1.5707 -0.0017 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0630 -1.2139 -0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2309 0.1320 -0.0013 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1957 -0.2939 0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0231 -0.5001 -1.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0441 -0.5062 1.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3918 -2.6323 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7256 -0.8021 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2724 1.0420 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3324 1.9311 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6474 1.2542 1.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6481 1.2563 -1.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3272 1.7048 1.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 1.7068 -1.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6257 1.4182 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5713 -0.4742 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9363 1.8456 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9270 0.8700 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2217 -0.7878 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6072 -1.5414 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8419 0.7412 0.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3936 -0.4552 -2.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7804 0.2873 -1.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5577 -1.4554 -1.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8029 0.2805 1.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5770 -1.4625 1.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4276 -0.4664 2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9572 -2.8933 -0.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4823 -3.2406 -0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9570 -2.8941 0.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1615 1.0786 2.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1628 1.0824 -2.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1804 1.8785 2.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 1.8820 -2.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1939 2.8985 0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9698 1.1744 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8834 -1.8195 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 25 1 0 0 0 0 3 25 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 5 20 1 0 0 0 0 6 13 2 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 20 2 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 26 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 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 16 36 1 0 0 0 0 17 19 2 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$