B3K6IN -OEChem-04022106443D 37 38 0 1 0 0 0 0 0999 V2000 -0.6568 -1.3402 -0.2265 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9126 -2.4784 1.1009 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8163 -0.2232 1.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4271 -0.4493 -1.5458 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6791 -0.2125 -0.6814 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4497 1.2121 -0.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0556 -0.7482 -0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0165 -0.4937 -1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3635 -1.1770 -0.8509 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2077 2.1999 -1.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1055 -0.5298 -1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4891 1.4787 1.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2183 -1.4381 0.8615 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0031 3.5074 -0.7005 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3690 -1.0213 -0.8658 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2781 2.7863 1.5881 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4819 -1.9294 1.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7274 -1.2226 0.6213 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 3.8005 0.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5572 -1.7210 0.3259 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6448 -0.2142 -1.7799 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7912 -0.4779 -2.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0808 0.5394 -0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3340 -2.2008 -1.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1773 1.9845 -2.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9704 0.0161 -2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6664 0.7072 1.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4154 -1.6018 1.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1952 4.2971 -1.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2066 -0.8581 -1.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3025 3.0144 2.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6303 -2.4695 2.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1331 4.8183 1.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5413 -2.1023 0.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3024 -0.9662 -1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2148 -0.4023 -2.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1303 -2.4764 2.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 2 18 1 0 0 0 0 2 37 1 0 0 0 0 3 18 2 0 0 0 0 4 9 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 6 10 2 0 0 0 0 6 12 1 0 0 0 0 7 11 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 18 1 0 0 0 0 9 24 1 0 0 0 0 10 14 1 0 0 0 0 10 25 1 0 0 0 0 11 15 1 0 0 0 0 11 26 1 0 0 0 0 12 16 2 0 0 0 0 12 27 1 0 0 0 0 13 17 2 0 0 0 0 13 28 1 0 0 0 0 14 19 2 0 0 0 0 14 29 1 0 0 0 0 15 20 2 0 0 0 0 15 30 1 0 0 0 0 16 19 1 0 0 0 0 16 31 1 0 0 0 0 17 20 1 0 0 0 0 17 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 M END $$$$