BU1H6T -OEChem-04022115133D 56 59 0 1 0 0 0 0 0999 V2000 4.9112 0.1408 0.6811 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5591 -1.8104 0.9801 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2501 -4.6363 0.1344 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0119 -4.0683 -1.3624 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8197 3.4957 1.7792 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8640 5.0854 0.1639 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 -1.3869 0.2433 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7209 0.5829 -0.0818 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6858 -2.7959 0.5363 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7459 -1.5002 0.3541 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7493 0.8563 -0.0619 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7173 3.8375 -1.0343 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2497 -3.4256 -0.6206 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8293 -2.9981 -0.9324 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7298 -2.3033 0.2908 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3793 -2.4014 0.3971 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3582 -1.1438 -0.4701 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0721 -1.6237 0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4318 -0.0479 0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6693 -0.3899 0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5771 1.3112 -0.5253 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4976 2.1658 -1.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0598 -0.3525 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6422 3.0168 -0.2462 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0269 -2.6338 0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5027 3.9810 0.5509 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1222 1.1838 -0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5718 2.2419 -0.8781 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0290 0.4493 0.6757 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9284 2.5656 -0.9039 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3856 0.7728 0.6499 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8353 1.8311 -0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8606 -3.5860 -1.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8305 -2.2307 -1.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4244 -2.6827 1.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9899 -3.1560 1.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2168 -1.4990 -1.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6304 -0.6987 -1.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1767 -4.8550 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4299 -4.4558 -2.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4044 0.4112 -0.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1498 0.7677 -1.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2942 1.9554 -0.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8445 1.5252 -1.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0105 2.8277 -1.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0492 2.4018 0.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6086 -3.5331 0.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1454 1.6227 -0.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1181 3.2320 -1.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0959 4.3482 -0.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8755 2.8216 -1.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7139 -0.3585 1.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3669 4.1279 2.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2786 3.3897 -1.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0911 0.2062 1.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8913 2.0842 -0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 21 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 13 1 0 0 0 0 3 39 1 0 0 0 0 4 14 1 0 0 0 0 4 40 1 0 0 0 0 5 26 1 0 0 0 0 5 53 1 0 0 0 0 6 26 2 0 0 0 0 7 16 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 19 2 0 0 0 0 8 20 1 0 0 0 0 9 18 2 0 0 0 0 9 25 1 0 0 0 0 10 23 1 0 0 0 0 10 25 2 0 0 0 0 11 23 1 0 0 0 0 11 27 1 0 0 0 0 11 48 1 0 0 0 0 12 24 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 20 1 0 0 0 0 19 41 1 0 0 0 0 20 23 2 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 24 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 24 26 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 51 1 0 0 0 0 29 31 2 0 0 0 0 29 52 1 0 0 0 0 30 32 2 0 0 0 0 30 54 1 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 M END $$$$