B40ONJ -OEChem-04022113393D 47 50 0 0 0 0 0 0 0999 V2000 0.9215 -3.2586 -0.0803 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.7385 1.7893 -1.4507 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1677 2.2916 0.4189 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9587 0.6645 -0.3388 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0239 -1.6033 -0.1680 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8407 -0.6886 0.1233 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0110 -0.1406 0.6579 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3088 0.0814 -1.7129 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2800 0.5051 -0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1070 1.1688 1.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2236 -0.5986 -0.3508 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0331 1.8318 -0.9265 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8868 2.4804 1.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7353 -0.3475 -0.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6485 -1.7109 -0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4672 -1.1407 0.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6253 -2.5271 0.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6148 -0.3380 0.3995 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8877 -3.1363 0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8748 -0.9378 0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0071 -2.3190 0.3904 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6463 0.3105 -0.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8528 1.1607 -0.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3932 1.5385 1.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5498 2.3547 0.9205 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8492 2.5696 -0.4069 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1750 0.1882 -2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8605 -0.2599 -0.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6412 0.4367 1.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1370 1.3633 1.5003 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3423 -1.0887 -1.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6143 -1.3036 0.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0400 1.6999 -1.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5295 2.5993 -1.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3435 3.2698 0.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0502 2.8265 2.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5396 0.1415 0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3540 0.3076 -0.9385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5702 -2.4528 -0.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5122 0.7417 0.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9986 -4.2140 0.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9898 -2.7806 0.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9874 1.2496 2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8551 0.4704 -2.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5064 -0.4814 -1.9729 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1326 2.7633 1.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6670 3.1476 -0.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 17 1 0 0 0 0 2 23 1 0 0 0 0 2 26 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 39 1 0 0 0 0 6 15 2 0 0 0 0 6 16 1 0 0 0 0 7 20 1 0 0 0 0 7 22 2 0 0 0 0 8 22 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 9 12 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 13 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 14 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 2 0 0 0 0 18 40 1 0 0 0 0 19 21 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 M END $$$$