@MOLECULE 71587439 33 33 1 SMALL USER_CHARGES @ATOM 1 O1 1.9304 0.7081 -0.4503 O.3 1 noname -0.3447 2 O2 -0.0859 -0.1897 0.0680 O.3 1 noname -0.3474 3 C1 1.1105 -0.4343 -0.6430 C.3 1 noname 0.1661 4 C2 1.8069 -1.6660 -0.0609 C.3 1 noname 0.0046 5 C3 1.0474 1.7526 -0.7946 C.3 1 noname 0.0817 6 C4 -0.2586 1.1914 -0.2373 C.3 1 noname 0.0762 7 C5 0.7809 -0.5573 -2.1320 C.3 1 noname -0.0104 8 C6 2.0466 -1.4567 1.4357 C.3 1 noname -0.0297 9 C7 1.4289 3.0179 -0.0237 C.3 1 noname -0.0363 10 C8 2.6975 -2.6079 1.9797 C.2 1 noname -0.0838 11 C9 3.0062 -2.6483 3.2728 C.2 1 noname -0.0822 12 C10 3.6572 -3.7995 3.8168 C.3 1 noname -0.0442 13 C11 2.6872 -1.5406 4.1190 C.3 1 noname -0.0442 14 H1 1.1772 -2.5433 -0.2088 H 1 noname 0.0324 15 H2 2.7621 -1.8152 -0.5644 H 1 noname 0.0324 16 H3 0.9860 1.8597 -1.8776 H 1 noname 0.0625 17 H4 -1.0484 1.3033 -0.9801 H 1 noname 0.0594 18 H5 -0.5474 1.7010 0.6819 H 1 noname 0.0594 19 H6 0.1509 -1.4320 -2.2936 H 1 noname 0.0285 20 H7 0.2527 0.3370 -2.4623 H 1 noname 0.0285 21 H8 1.7045 -0.6648 -2.7008 H 1 noname 0.0285 22 H9 1.0915 -1.3075 1.9392 H 1 noname 0.0311 23 H10 2.6763 -0.5794 1.5836 H 1 noname 0.0311 24 H11 0.7464 3.8251 -0.2897 H 1 noname 0.0257 25 H12 1.3632 2.8247 1.0470 H 1 noname 0.0257 26 H13 2.4488 3.3054 -0.2791 H 1 noname 0.0257 27 H14 2.9184 -3.3748 1.3939 H 1 noname 0.0575 28 H15 2.9075 -4.5123 4.1604 H 1 noname 0.0276 29 H16 2.0176 -1.8710 4.9131 H 1 noname 0.0276 30 H17 2.1983 -0.7635 3.5314 H 1 noname 0.0276 31 H18 3.6025 -1.1429 4.5575 H 1 noname 0.0276 32 H19 4.2754 -4.2642 3.0488 H 1 noname 0.0276 33 H20 4.2847 -3.4993 4.6560 H 1 noname 0.0276 @BOND 1 1 3 1 2 1 5 1 3 2 3 1 4 2 6 1 5 3 4 1 6 3 7 1 7 4 8 1 8 4 14 1 9 4 15 1 10 5 6 1 11 5 9 1 12 5 16 1 13 6 17 1 14 6 18 1 15 7 19 1 16 7 20 1 17 7 21 1 18 8 10 1 19 8 22 1 20 8 23 1 21 9 24 1 22 9 25 1 23 9 26 1 24 10 11 2 25 10 27 1 26 11 12 1 27 11 13 1 28 12 28 1 29 12 32 1 30 12 33 1 31 13 29 1 32 13 30 1 33 13 31 1 @SUBSTRUCTURE 1 noname 1