B86FOU -OEChem-04012113413D 52 56 0 1 0 0 0 0 0999 V2000 1.5160 3.5950 -0.6483 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1603 -1.9786 1.5149 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3371 0.1925 1.3414 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4837 1.1549 2.3184 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9628 0.6106 -0.0019 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8415 0.4020 -0.9283 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7844 -0.3876 -1.2835 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7845 -1.6214 -1.0851 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3950 -2.0397 -1.0587 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0262 2.5539 -0.0692 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6048 2.0489 0.2500 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2248 3.2969 0.6130 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8546 4.0456 -0.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7759 4.4545 0.6427 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6699 1.8156 -1.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6594 1.1081 1.4173 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5098 2.1205 -0.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9963 -0.0710 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0145 -1.5139 -0.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6746 1.2639 -1.5591 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1158 1.8338 0.7469 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8918 -2.2286 -0.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4503 0.1126 -1.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 0.6826 0.8828 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1096 -2.1452 0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0589 -0.1780 -0.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8726 -3.6121 -0.2703 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0769 -3.5227 0.7153 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9588 -4.2569 0.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8613 -1.3686 -0.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0797 -3.2502 0.8229 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0930 -3.1174 -0.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6907 2.4605 0.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1982 1.5080 -0.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 3.2186 1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7840 4.6027 -0.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 4.2235 -1.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3423 5.4326 0.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 4.5239 1.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0732 1.9094 -2.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6540 2.2511 -1.4451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3202 -0.4318 2.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2057 1.4737 -2.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0114 2.4976 1.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5627 -0.5445 -2.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 0.5301 1.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9871 -1.5842 0.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0072 -4.1993 -0.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9216 -4.0235 1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9310 -5.3308 0.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5512 -4.0080 1.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6010 -3.7858 -1.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 17 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 16 1 0 0 0 0 3 42 1 0 0 0 0 4 16 2 0 0 0 0 5 18 2 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 7 8 2 0 0 0 0 8 22 1 0 0 0 0 9 30 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 22 1 0 0 0 0 19 25 2 0 0 0 0 20 23 1 0 0 0 0 20 43 1 0 0 0 0 21 24 2 0 0 0 0 21 44 1 0 0 0 0 22 27 2 0 0 0 0 23 26 2 0 0 0 0 23 45 1 0 0 0 0 24 26 1 0 0 0 0 24 46 1 0 0 0 0 25 28 1 0 0 0 0 25 47 1 0 0 0 0 26 30 1 0 0 0 0 27 29 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 31 32 2 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 M END $$$$