B5NKQ6 -OEChem-04042104203D 49 49 0 0 0 0 0 0 0999 V2000 -5.4111 0.8277 -0.5607 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7157 -0.4146 -1.2291 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7032 -0.6814 1.7857 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2071 -0.2058 0.0829 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7456 2.2295 -0.3677 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6975 -2.0084 1.4514 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.1906 -2.5055 -0.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7469 0.0176 -0.1953 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2631 1.0958 0.4035 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0856 -1.7699 0.3835 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4898 0.7041 0.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5502 -0.8265 -1.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 0.1571 -0.3479 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5172 1.6488 0.2446 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1509 -0.3028 1.7874 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4677 -0.3229 -2.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1058 -2.2805 -0.9754 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6761 1.0699 0.6525 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0517 0.3452 0.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7342 0.6122 -0.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3769 0.2041 0.9995 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2434 -0.6255 0.3153 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9022 -0.7589 0.6742 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5427 1.5830 0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8838 1.7164 -0.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4312 0.4914 -2.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8398 1.3210 1.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6045 -0.7967 -0.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9866 2.2532 1.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0413 2.3381 -0.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3252 1.1341 -0.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6059 0.2144 2.6398 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4120 -1.0074 2.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9444 -0.8849 1.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1618 -0.8812 -3.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7389 0.7364 -2.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4707 -0.4361 -2.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7825 -2.9249 -1.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1192 -2.6249 0.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0977 -2.4462 -1.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8440 0.7065 1.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0414 2.0941 0.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9373 1.7514 -0.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5223 -1.7274 0.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9218 2.4733 0.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2396 2.6909 -0.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4561 0.6163 -2.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7743 1.2016 -2.8114 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1008 -0.5335 -2.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 20 1 0 0 0 0 1 26 1 0 0 0 0 2 13 2 0 0 0 0 3 21 2 0 0 0 0 6 10 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 18 1 0 0 0 0 9 21 1 0 0 0 0 9 43 1 0 0 0 0 10 22 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 27 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 28 1 0 0 0 0 13 18 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 21 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 22 2 0 0 0 0 20 25 1 0 0 0 0 22 23 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 M CHG 2 6 -1 10 1 M END $$$$