B6E4NJ -OEChem-04022116493D 51 53 0 0 0 0 0 0 0999 V2000 -2.4558 2.5129 0.0738 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9005 -3.5853 0.7986 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4432 0.1971 1.8818 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 -0.1780 1.9657 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6999 -1.7904 2.3566 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.9604 3.1391 1.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9407 2.9677 -1.2214 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4303 0.4349 -1.9963 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5295 -3.9657 -1.1497 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1436 -1.3806 -0.5957 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3271 -1.1224 1.6144 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6362 -2.6042 0.3690 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6976 2.7357 0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0711 2.3399 -1.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6085 0.8109 0.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0841 3.3193 1.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4531 2.5275 -1.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0666 3.1109 0.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2978 3.5068 1.1804 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5548 1.7133 -2.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1006 -0.0346 -0.9129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2639 0.2254 1.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5445 3.3114 0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7589 -1.8572 0.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5996 -1.9669 -0.4494 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5035 -1.0518 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -3.9881 1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 -3.5319 -0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6384 -2.2652 -1.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4461 -0.4348 -0.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4856 -0.7140 1.5456 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5810 -1.6485 -2.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4848 -0.7333 -2.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6536 3.6349 2.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0545 2.2250 -1.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7670 3.9608 2.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 1.5917 -3.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3302 2.3260 -2.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8956 0.7020 -2.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8967 0.8114 2.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9958 2.7393 0.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0123 2.9847 -0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7813 4.3720 0.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4677 -2.0392 -1.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8689 -3.5368 2.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0672 -5.0728 1.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6614 -2.3437 1.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9772 -2.9598 -2.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1639 0.2766 -0.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6122 -1.8796 -3.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2189 -0.2531 -2.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 13 1 0 0 0 0 1 15 1 0 0 0 0 2 24 1 0 0 0 0 2 27 1 0 0 0 0 3 31 1 0 0 0 0 4 31 1 0 0 0 0 5 31 1 0 0 0 0 8 21 2 0 0 0 0 9 28 2 0 0 0 0 10 21 1 0 0 0 0 10 24 1 0 0 0 0 10 44 1 0 0 0 0 11 22 1 0 0 0 0 11 24 2 0 0 0 0 12 25 1 0 0 0 0 12 28 1 0 0 0 0 12 47 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 15 22 2 0 0 0 0 16 19 2 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 25 26 1 0 0 0 0 25 29 2 0 0 0 0 26 30 2 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 29 32 1 0 0 0 0 29 48 1 0 0 0 0 30 33 1 0 0 0 0 30 49 1 0 0 0 0 32 33 2 0 0 0 0 32 50 1 0 0 0 0 33 51 1 0 0 0 0 M END $$$$