BG3J6W -OEChem-04042104243D 53 54 0 0 0 0 0 0 0999 V2000 -5.3029 1.5606 -0.3044 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3437 2.5266 1.4318 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0947 -2.9718 -1.1304 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5614 -3.9805 -0.8170 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5701 2.8138 -0.3947 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2860 1.2180 -1.3196 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8792 2.4872 -0.1635 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.5474 2.0464 1.8806 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3926 -0.9225 -0.0863 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4228 -2.9581 0.9264 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 1.7210 0.6785 N 0 3 0 0 0 0 0 0 0 0 0 0 1.8161 -3.7208 0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4815 -2.3760 0.5409 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5819 -3.9721 1.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7241 -2.1316 -0.3062 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9884 0.1048 0.8709 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1518 0.2430 -0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3737 -1.9034 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6572 1.4038 0.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4276 -3.0470 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8522 0.4390 0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5913 -0.6142 -0.8566 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9632 -0.6342 0.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5624 -1.0262 -0.6196 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6734 -2.0993 -0.5601 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3648 2.5617 0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6388 1.4509 -0.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1143 1.5430 1.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0539 3.7670 -0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3279 2.6563 -1.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0354 3.8143 -1.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5363 -3.7525 -0.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5338 -4.5344 0.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7736 -1.5632 0.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7719 -2.3571 1.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1532 -4.9492 0.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8556 -3.9871 2.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8190 0.2223 1.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1276 -0.1986 1.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3995 -2.1820 1.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3705 0.1785 -1.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9461 -1.4879 -1.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3851 -0.2889 -0.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9466 -0.4482 0.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5715 -1.2087 -0.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0134 -3.0821 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0745 0.5594 -1.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8575 2.3434 1.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3779 1.7146 2.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6076 0.5786 1.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6047 4.6686 0.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5336 2.6933 -2.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7930 4.7528 -1.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 17 1 0 0 0 0 1 28 1 0 0 0 0 2 26 1 0 0 0 0 3 15 2 0 0 0 0 4 20 2 0 0 0 0 7 11 1 0 0 0 0 8 11 2 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 22 1 0 0 0 0 10 14 1 0 0 0 0 10 20 1 0 0 0 0 10 40 1 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 16 19 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 21 2 0 0 0 0 17 24 1 0 0 0 0 18 20 1 0 0 0 0 18 23 2 0 0 0 0 18 25 1 0 0 0 0 19 26 1 0 0 0 0 19 27 2 0 0 0 0 21 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 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 29 2 0 0 0 0 27 30 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 31 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 M CHG 2 7 -1 11 1 M END $$$$