@MOLECULE 91864499 30 29 1 SMALL USER_CHARGES @ATOM 1 O1 1.4565 -3.5847 -1.5616 O.3 1 noname -0.3959 2 C1 2.0370 -1.7141 -0.1582 C.3 1 noname -0.0183 3 C2 1.8331 -0.2087 0.0237 C.3 1 noname -0.0483 4 C3 0.3430 0.0855 0.2080 C.3 1 noname -0.0529 5 C4 3.5271 -2.0083 -0.3425 C.3 1 noname -0.0511 6 C5 0.1390 1.5908 0.3899 C.3 1 noname -0.0535 7 C6 1.2672 -2.1876 -1.3928 C.3 1 noname 0.0460 8 C7 -1.3511 1.8850 0.5742 C.3 1 noname -0.0561 9 C8 4.2969 -1.5349 0.8920 C.3 1 noname -0.0650 10 C9 -1.5550 3.3904 0.7561 C.3 1 noname -0.0654 11 H1 1.6692 -2.2397 0.7230 H 1 noname 0.0326 12 H2 2.2009 0.3169 -0.8575 H 1 noname 0.0270 13 H3 2.3815 0.1286 0.9032 H 1 noname 0.0270 14 H4 -0.2055 -0.2518 -0.6716 H 1 noname 0.0267 15 H5 -0.0249 -0.4401 1.0892 H 1 noname 0.0267 16 H6 3.6724 -3.0808 -0.4721 H 1 noname 0.0267 17 H7 3.8950 -1.4827 -1.2237 H 1 noname 0.0267 18 H8 0.5069 2.1164 -0.4913 H 1 noname 0.0266 19 H9 0.6874 1.9281 1.2694 H 1 noname 0.0266 20 H10 0.2056 -1.9780 -1.2615 H 1 noname 0.0566 21 H11 1.6351 -1.6620 -2.2740 H 1 noname 0.0566 22 H12 -1.8995 1.5477 -0.3054 H 1 noname 0.0264 23 H13 -1.7189 1.3594 1.4554 H 1 noname 0.0264 24 H14 5.3585 -1.7444 0.7608 H 1 noname 0.0230 25 H15 3.9291 -2.0605 1.7733 H 1 noname 0.0230 26 H16 4.1516 -0.4624 1.0216 H 1 noname 0.0230 27 H17 -2.6166 3.6000 0.8874 H 1 noname 0.0230 28 H18 -1.1872 3.9160 -0.1251 H 1 noname 0.0230 29 H19 -1.0066 3.7277 1.6356 H 1 noname 0.0230 30 H20 0.9634 -3.8880 -2.3524 H 1 noname 0.2100 @BOND 1 1 7 1 2 1 30 1 3 2 3 1 4 2 5 1 5 2 7 1 6 2 11 1 7 3 4 1 8 3 12 1 9 3 13 1 10 4 6 1 11 4 14 1 12 4 15 1 13 5 9 1 14 5 16 1 15 5 17 1 16 6 8 1 17 6 18 1 18 6 19 1 19 7 20 1 20 7 21 1 21 8 10 1 22 8 22 1 23 8 23 1 24 9 24 1 25 9 25 1 26 9 26 1 27 10 27 1 28 10 28 1 29 10 29 1 @SUBSTRUCTURE 1 noname 1