BJPW06 -OEChem-04042103333D 31 33 0 0 0 0 0 0 0999 V2000 -2.7403 0.0386 0.2333 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5771 2.6673 0.8137 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8688 3.0284 -0.6200 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7705 1.1994 -1.2496 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2141 0.4322 0.9764 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3756 -0.2139 0.5134 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1929 0.6824 -0.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 -0.2142 1.7235 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2143 1.7700 0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5153 1.9759 -0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7536 -1.5358 0.6596 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3987 0.3224 -0.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8726 -0.8247 0.8235 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7878 -1.0103 -0.5921 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9737 -1.9303 0.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1479 -2.1190 0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0825 -1.4692 -1.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2559 -2.0464 -0.4296 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5787 -0.7127 -0.5276 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5968 -0.0398 -1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 0.5409 2.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4130 -0.9643 2.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1413 -2.2592 1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0116 1.0433 -1.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2889 -2.9665 0.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6174 -3.0054 0.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9128 -1.9133 -2.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7878 -0.6383 -1.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5610 -2.2134 -0.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7539 -2.8668 -0.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2644 -0.6723 -1.8695 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 19 1 0 0 0 0 2 9 2 0 0 0 0 3 10 2 0 0 0 0 4 20 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 11 15 2 0 0 0 0 11 23 1 0 0 0 0 12 14 2 0 0 0 0 12 24 1 0 0 0 0 13 16 2 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 25 1 0 0 0 0 16 18 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 19 2 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 20 31 1 0 0 0 0 M END $$$$