B1KMH8 -OEChem-04022108573D 39 42 0 0 0 0 0 0 0999 V2000 2.1765 -3.6371 0.3009 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7609 -0.2414 0.9689 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0985 -2.1703 0.6287 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4341 -1.0457 -1.6627 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0926 1.3499 -2.9922 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4280 0.2130 -1.8903 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5232 0.7865 0.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9185 -0.4831 0.4292 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6335 1.1769 -1.9861 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0293 -2.3711 -1.3956 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1595 -3.0766 -1.4002 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3359 1.9716 0.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5532 2.1096 -0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2656 0.8737 0.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2316 2.9042 1.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1662 -1.0390 0.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8585 -1.0465 0.9601 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6986 -2.3897 1.5307 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3336 3.1803 -1.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1389 -1.8594 -0.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3446 3.9748 1.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2870 -0.6526 -0.3651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4379 4.1128 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -0.6144 1.7099 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 -2.9210 -0.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2756 0.1461 0.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0388 0.1840 2.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1515 0.5644 1.5347 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8338 2.8114 2.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6547 -2.7241 1.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9816 -2.3804 2.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9621 3.3245 -1.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2628 4.7005 1.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1288 4.9462 -0.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1982 -0.8862 2.3288 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1479 0.4510 -0.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9421 0.5109 3.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9210 1.1867 1.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2652 -0.6826 -2.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 25 1 0 0 0 0 2 14 1 0 0 0 0 2 17 1 0 0 0 0 3 20 1 0 0 0 0 3 25 1 0 0 0 0 4 22 1 0 0 0 0 4 39 1 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 7 14 2 0 0 0 0 8 17 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 20 2 0 0 0 0 11 25 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 2 0 0 0 0 13 19 2 0 0 0 0 15 21 1 0 0 0 0 15 29 1 0 0 0 0 16 20 1 0 0 0 0 16 22 1 0 0 0 0 16 24 2 0 0 0 0 17 18 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 23 1 0 0 0 0 19 32 1 0 0 0 0 21 23 2 0 0 0 0 21 33 1 0 0 0 0 22 26 2 0 0 0 0 23 34 1 0 0 0 0 24 27 1 0 0 0 0 24 35 1 0 0 0 0 26 28 1 0 0 0 0 26 36 1 0 0 0 0 27 28 2 0 0 0 0 27 37 1 0 0 0 0 28 38 1 0 0 0 0 M CHG 2 5 -1 9 1 M END $$$$