B6D7SK -OEChem-04022118403D 42 45 0 1 0 0 0 0 0999 V2000 -2.1326 1.9952 1.9238 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1492 0.8061 -0.3757 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3879 2.9739 -0.1351 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0068 2.3696 -1.1107 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6600 0.2279 1.7164 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1816 0.5817 -0.1109 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6947 0.2117 -0.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3203 1.7100 -1.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0464 1.2633 -1.0221 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1176 -0.5721 -0.3478 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6170 1.0616 1.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9559 -0.7292 0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2258 1.8057 -0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2335 -1.4211 -1.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9233 -1.7123 0.8229 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2054 -2.4259 -1.3914 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0433 -2.5699 -0.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4238 1.1897 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3228 -0.0114 0.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -0.8279 1.3106 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1232 -0.3111 -0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1942 -1.9443 1.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9590 -1.4273 -0.8942 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9945 -2.2440 0.2362 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2682 0.2109 0.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5172 -0.7845 -0.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5206 1.3312 -2.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1087 2.4256 -0.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1427 0.8653 -2.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8618 2.9099 -1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1459 0.3024 2.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5902 -1.3167 -2.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5675 -1.8207 1.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3155 -3.1048 -2.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7914 -3.3581 -0.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3001 1.5953 1.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8626 1.9751 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7377 -0.6060 2.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1027 0.3163 -1.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2214 -2.5806 2.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 -1.6611 -1.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6452 -3.1133 0.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 13 1 0 0 0 0 2 18 1 0 0 0 0 3 13 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 30 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 13 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 14 2 0 0 0 0 12 15 2 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 15 17 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$