B2BA8E -OEChem-04022107103D 46 48 0 1 0 0 0 0 0999 V2000 -3.8532 -1.5725 -0.3785 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8653 2.0446 -0.5998 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6297 2.5941 -0.4552 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0788 1.0781 1.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9422 -3.1649 -0.4893 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2065 -1.0681 0.4773 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1484 -0.0017 -0.7981 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0905 0.0414 0.4264 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7087 1.1746 -0.5095 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2198 1.4074 -0.5335 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5541 0.1036 0.8009 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9516 1.9499 0.6213 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4387 0.7247 -1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6543 2.2996 0.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4885 2.3910 0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5207 1.8341 -0.5779 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1049 0.4531 0.4648 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0605 0.9391 -1.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2762 2.5144 0.3429 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5127 -2.0758 -0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3776 -2.2211 0.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1871 -0.3232 1.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5279 -3.6838 -0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3269 -1.6951 1.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2850 -1.3400 -0.9326 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1828 -4.4035 -0.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5137 0.0564 1.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0869 1.0135 -1.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1914 2.1085 -0.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4459 2.2741 1.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8774 0.0360 -2.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2668 2.8364 1.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9913 1.9092 1.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4387 3.4805 0.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5554 0.4084 -2.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1315 3.2386 1.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1942 -1.1769 0.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1435 0.0992 2.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1253 -4.1264 0.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0951 -3.8640 -1.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3934 -2.3437 2.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3164 -1.6899 -1.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5391 3.5538 -0.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5782 -4.0145 -1.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3373 -5.4743 -0.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6088 -4.2804 0.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 20 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 12 1 0 0 0 0 3 43 1 0 0 0 0 4 11 2 0 0 0 0 5 20 2 0 0 0 0 6 11 1 0 0 0 0 6 20 1 0 0 0 0 6 37 1 0 0 0 0 7 17 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 12 30 1 0 0 0 0 13 18 1 0 0 0 0 13 31 1 0 0 0 0 14 19 2 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 22 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 21 25 2 0 0 0 0 22 24 2 0 0 0 0 22 38 1 0 0 0 0 23 26 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 M END $$$$