@MOLECULE 58658352 33 33 1 SMALL USER_CHARGES @ATOM 1 O1 -1.0132 -0.1757 -2.2174 O.3 1 noname -0.2179 2 O2 -1.5453 -0.2819 -0.0315 O.2 1 noname -0.2547 3 C1 1.3309 -0.3542 0.3523 C.3 1 noname -0.0284 4 C2 0.5626 0.6209 -0.5420 C.3 1 noname 0.0480 5 C3 0.6012 0.8393 0.9719 C.3 1 noname -0.0372 6 C4 0.4995 -1.6223 0.5564 C.3 1 noname -0.0496 7 C5 1.2677 -2.5974 1.4507 C.3 1 noname -0.0530 8 C6 -0.7195 0.0313 -0.9161 C.2 1 noname 0.1366 9 C7 0.4363 -3.8655 1.6548 C.3 1 noname -0.0533 10 C8 1.2045 -4.8407 2.5490 C.3 1 noname -0.0533 11 C9 0.3731 -6.1087 2.7531 C.3 1 noname -0.0535 12 C10 1.1414 -7.0839 3.6474 C.3 1 noname -0.0561 13 C11 0.3099 -8.3519 3.8515 C.3 1 noname -0.0654 14 H1 2.4092 -0.2663 0.4853 H 1 noname 0.0311 15 H2 0.9652 1.5326 -0.9834 H 1 noname 0.0411 16 H3 -0.3377 0.5028 1.4116 H 1 noname 0.0278 17 H4 1.2164 1.6608 1.3391 H 1 noname 0.0278 18 H5 -0.4474 -1.3635 1.0304 H 1 noname 0.0269 19 H6 0.3066 -2.0897 -0.4092 H 1 noname 0.0269 20 H7 1.4605 -2.1301 2.4163 H 1 noname 0.0266 21 H8 2.2146 -2.8562 0.9767 H 1 noname 0.0266 22 H9 -0.5106 -3.6068 2.1287 H 1 noname 0.0266 23 H10 0.2435 -4.3329 0.6891 H 1 noname 0.0266 24 H11 1.3974 -4.3733 3.5147 H 1 noname 0.0266 25 H12 2.1514 -5.0994 2.0751 H 1 noname 0.0266 26 H13 -0.5738 -5.8500 3.2271 H 1 noname 0.0266 27 H14 0.1803 -6.5761 1.7875 H 1 noname 0.0266 28 H15 -1.6013 -0.9160 -2.4752 H 1 noname 0.2213 29 H16 1.3342 -6.6165 4.6130 H 1 noname 0.0264 30 H17 2.0882 -7.3426 3.1734 H 1 noname 0.0264 31 H18 0.8572 -9.0466 4.4886 H 1 noname 0.0230 32 H19 -0.6369 -8.0932 4.3254 H 1 noname 0.0230 33 H20 0.1171 -8.8193 2.8858 H 1 noname 0.0230 @BOND 1 1 8 1 2 1 28 1 3 2 8 2 4 3 4 1 5 3 5 1 6 3 6 1 7 3 14 1 8 4 5 1 9 4 8 1 10 4 15 1 11 5 16 1 12 5 17 1 13 6 7 1 14 6 18 1 15 6 19 1 16 7 9 1 17 7 20 1 18 7 21 1 19 9 10 1 20 9 22 1 21 9 23 1 22 10 11 1 23 10 24 1 24 10 25 1 25 11 12 1 26 11 26 1 27 11 27 1 28 12 13 1 29 12 29 1 30 12 30 1 31 13 31 1 32 13 32 1 33 13 33 1 @SUBSTRUCTURE 1 noname 1