@MOLECULE 72941617 29 28 1 SMALL USER_CHARGES @ATOM 1 O1 1.4299 -4.3359 -1.8744 O.2 1 noname -0.3065 2 C1 1.6822 -1.5806 0.0986 C.3 1 noname -0.0376 3 C2 1.0600 -0.1910 0.2499 C.3 1 noname -0.0500 4 C3 -0.4228 -0.2528 -0.1221 C.3 1 noname -0.0493 5 C4 1.5392 -2.0482 -1.3512 C.3 1 noname 0.0056 6 C5 -1.0449 1.1367 0.0292 C.3 1 noname -0.0325 7 C6 3.1650 -1.5187 0.4706 C.3 1 noname -0.0621 8 C7 -2.4308 1.0789 -0.3185 C.2 1 noname -0.0872 9 C8 2.1329 -3.3742 -1.4956 C.2 1 noname 0.1232 10 C9 -3.2336 2.2607 -0.2559 C.3 1 noname -0.0442 11 C10 -2.9732 -0.0740 -0.7000 C.2 1 noname -0.0933 12 H1 1.1709 -2.2814 0.7585 H 1 noname 0.0304 13 H2 1.1619 0.1422 1.2827 H 1 noname 0.0269 14 H3 1.5713 0.5098 -0.4101 H 1 noname 0.0269 15 H4 -0.9340 -0.9537 0.5378 H 1 noname 0.0270 16 H5 -0.5247 -0.5860 -1.1549 H 1 noname 0.0270 17 H6 0.4828 -2.0923 -1.6162 H 1 noname 0.0346 18 H7 2.0504 -1.3474 -2.0111 H 1 noname 0.0346 19 H8 -0.9431 1.4699 1.0620 H 1 noname 0.0312 20 H9 -0.5337 1.8376 -0.6307 H 1 noname 0.0312 21 H10 3.6082 -2.5087 0.3628 H 1 noname 0.0233 22 H11 3.2668 -1.1855 1.5034 H 1 noname 0.0233 23 H12 3.6762 -0.8179 -0.1894 H 1 noname 0.0233 24 H13 3.1213 -3.5159 -1.2873 H 1 noname 0.1041 25 H14 -3.2337 2.6463 0.7636 H 1 noname 0.0276 26 H15 -4.2545 2.0227 -0.5545 H 1 noname 0.0276 27 H16 -2.8244 3.0139 -0.9292 H 1 noname 0.0276 28 H17 -2.4174 -0.8921 -0.7433 H 1 noname 0.0537 29 H18 -3.9326 -0.1140 -0.9408 H 1 noname 0.0537 @BOND 1 1 9 2 2 2 3 1 3 2 5 1 4 2 7 1 5 2 12 1 6 3 4 1 7 3 13 1 8 3 14 1 9 4 6 1 10 4 15 1 11 4 16 1 12 5 9 1 13 5 17 1 14 5 18 1 15 6 8 1 16 6 19 1 17 6 20 1 18 7 21 1 19 7 22 1 20 7 23 1 21 8 10 1 22 8 11 2 23 9 24 1 24 10 25 1 25 10 26 1 26 10 27 1 27 11 28 1 28 11 29 1 @SUBSTRUCTURE 1 noname 1