B6JPV8 -OEChem-04022116053D 43 45 0 1 0 0 0 0 0999 V2000 -1.8957 0.3129 0.4259 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0272 2.9662 -1.7995 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2041 0.5326 1.8848 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3488 1.8387 0.1790 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6146 1.2996 0.2104 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1366 -0.6040 1.2341 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0648 1.9289 0.5464 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2726 2.7936 -0.7119 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2325 2.6070 -0.9612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3850 1.1673 0.8449 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8308 0.6991 0.7081 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5769 0.9497 0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0115 -0.7066 0.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 1.6003 0.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5891 -0.1541 0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5772 -1.0061 -1.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6075 -1.6616 0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7438 -2.3015 -1.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7743 -2.9569 0.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8906 -0.6306 -1.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3424 -3.2768 -0.7951 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8300 -1.6515 -1.2631 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0453 -1.5967 1.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4230 -2.1495 -0.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2186 2.4575 1.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5563 3.8317 -0.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8678 2.4023 -1.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7286 0.6411 1.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6494 1.7937 -0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6582 1.6114 -0.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8262 1.5549 1.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9499 1.1871 0.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8773 2.5996 0.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1694 1.7184 -0.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1231 -0.2636 -1.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9490 -1.4217 1.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4111 -2.5500 -2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2411 -3.7163 1.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4210 -0.2360 -2.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4732 -4.2851 -1.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0992 -2.0588 -2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4783 -1.9498 2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1575 -2.9452 -0.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 9 2 0 0 0 0 3 10 2 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 29 1 0 0 0 0 6 15 1 0 0 0 0 6 23 2 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 28 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 20 2 0 0 0 0 16 18 1 0 0 0 0 16 35 1 0 0 0 0 17 19 2 0 0 0 0 17 36 1 0 0 0 0 18 21 2 0 0 0 0 18 37 1 0 0 0 0 19 21 1 0 0 0 0 19 38 1 0 0 0 0 20 22 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 M END $$$$