@MOLECULE 91617761 30 30 1 SMALL USER_CHARGES @ATOM 1 O1 -0.7099 1.9022 -1.7011 O.3 1 noname -0.2170 2 O2 2.0849 -1.2412 -4.1552 O.3 1 noname -0.2179 3 O3 -1.1772 -0.2603 -1.2799 O.2 1 noname -0.2535 4 O4 1.4167 0.8522 -3.6612 O.2 1 noname -0.2546 5 C1 2.0202 0.8965 -1.1102 C.3 1 noname -0.0085 6 C2 0.7717 0.5917 -0.2825 C.3 1 noname 0.0592 7 C3 2.3177 -0.3939 -1.8851 C.3 1 noname 0.0511 8 C4 0.9905 -0.8798 0.0956 C.3 1 noname -0.0371 9 C5 1.4555 -1.4807 -1.2307 C.3 1 noname -0.0395 10 C6 3.1889 1.2100 -0.1738 C.3 1 noname -0.0581 11 C7 1.8353 2.1052 -2.0298 C.3 1 noname -0.0581 12 C8 0.7775 1.4500 0.9842 C.3 1 noname -0.0497 13 C9 -0.4219 0.7216 -1.1131 C.2 1 noname 0.1382 14 C10 1.9164 -0.2280 -3.2790 C.2 1 noname 0.1367 15 H1 3.3842 -0.6073 -1.8131 H 1 noname 0.0414 16 H2 0.0386 -1.3265 0.3829 H 1 noname 0.0278 17 H3 1.7828 -0.9601 0.8398 H 1 noname 0.0278 18 H4 0.5896 -1.6856 -1.8602 H 1 noname 0.0275 19 H5 1.9928 -2.4201 -1.1000 H 1 noname 0.0275 20 H6 2.7522 2.2762 -2.5938 H 1 noname 0.0236 21 H7 1.0141 1.9139 -2.7206 H 1 noname 0.0236 22 H8 4.0791 1.4273 -0.7640 H 1 noname 0.0236 23 H9 2.9401 2.0753 0.4406 H 1 noname 0.0236 24 H10 3.3800 0.3508 0.4691 H 1 noname 0.0236 25 H11 1.6078 2.9865 -1.4302 H 1 noname 0.0236 26 H12 -0.1127 1.2327 1.5744 H 1 noname 0.0241 27 H13 0.7822 2.5045 0.7085 H 1 noname 0.0241 28 H14 1.6672 1.2241 1.5720 H 1 noname 0.0241 29 H15 -1.1929 1.9202 -2.5536 H 1 noname 0.2213 30 H16 1.4726 -1.3398 -4.9139 H 1 noname 0.2213 @BOND 1 1 13 1 2 1 29 1 3 2 14 1 4 2 30 1 5 3 13 2 6 4 14 2 7 5 6 1 8 5 7 1 9 5 10 1 10 5 11 1 11 6 8 1 12 6 12 1 13 6 13 1 14 7 9 1 15 7 14 1 16 7 15 1 17 8 9 1 18 8 16 1 19 8 17 1 20 9 18 1 21 9 19 1 22 10 22 1 23 10 23 1 24 10 24 1 25 11 20 1 26 11 21 1 27 11 25 1 28 12 26 1 29 12 27 1 30 12 28 1 @SUBSTRUCTURE 1 noname 1