B6XVK1 -OEChem-04022103243D 47 50 0 0 0 0 0 0 0999 V2000 -3.8073 -0.0981 -1.7445 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4200 -2.6838 1.8867 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9898 0.6743 -2.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0323 -0.7343 -2.7884 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3310 3.0198 1.5106 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2173 -1.0969 2.5129 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5991 -2.1592 1.4774 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2019 -1.2646 -0.5549 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0119 3.2014 1.2813 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8418 0.6043 -0.3451 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0001 0.8911 0.0475 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6632 -1.4969 1.4621 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.0490 -2.0345 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1012 -0.7901 0.5372 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5865 -3.1837 0.8385 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5522 -1.9915 1.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7193 0.9356 -0.8146 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4854 1.4880 -0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3474 0.6590 -0.8032 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0302 2.5628 0.6476 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2352 2.0154 -0.1008 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3995 2.8514 0.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9185 1.5047 0.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1935 2.5693 1.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9339 -0.0193 -0.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2626 -1.1886 0.2093 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5347 0.2622 -1.7033 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1921 -2.0766 -0.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4642 -0.6258 -2.2446 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7931 -1.7952 -1.5591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4428 -1.3908 0.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4309 -2.4352 -0.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9808 -0.2896 0.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5599 -0.0965 1.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7581 -3.7289 1.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1568 -3.8956 0.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1529 -2.6852 0.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1669 -1.6609 2.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9364 -0.1811 -1.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3009 2.2305 -0.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 3.6912 1.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 4.0186 1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1332 3.8016 2.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2864 1.1710 -2.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4585 -2.9921 0.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9322 -0.4066 -3.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5169 -2.4865 -1.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 17 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 5 24 1 0 0 0 0 5 43 1 0 0 0 0 6 12 1 0 0 0 0 7 12 2 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 20 1 0 0 0 0 9 24 1 0 0 0 0 9 42 1 0 0 0 0 10 11 2 0 0 0 0 10 23 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 16 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 19 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 18 23 1 0 0 0 0 19 39 1 0 0 0 0 20 22 1 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 26 28 2 0 0 0 0 27 29 1 0 0 0 0 27 44 1 0 0 0 0 28 30 1 0 0 0 0 28 45 1 0 0 0 0 29 30 2 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 M CHG 2 6 -1 12 1 M END $$$$