@MOLECULE 86289764 34 33 1 SMALL USER_CHARGES @ATOM 1 O1 8.0743 -1.0075 -1.0537 O.3 1 noname -0.3962 2 O2 -5.6156 3.9708 0.2190 O.3 1 noname -0.2215 3 O3 -3.8008 5.2634 -0.1097 O.2 1 noname -0.2629 4 C1 2.5017 1.6954 -0.5911 C.3 1 noname -0.0533 5 C2 3.4157 0.4685 -0.6027 C.3 1 noname -0.0532 6 C3 1.0536 1.2505 -0.3768 C.3 1 noname -0.0530 7 C4 4.8639 0.9133 -0.8170 C.3 1 noname -0.0511 8 C5 0.1396 2.4775 -0.3651 C.3 1 noname -0.0498 9 C6 5.7779 -0.3136 -0.8286 C.3 1 noname -0.0299 10 C7 -1.3085 2.0326 -0.1509 C.3 1 noname -0.0345 11 C8 7.2260 0.1312 -1.0429 C.3 1 noname 0.0432 12 C9 -2.1628 3.1794 -0.1400 C.2 1 noname -0.0307 13 C10 -3.4731 3.0309 0.0330 C.2 1 noname 0.0471 14 C11 -4.2856 4.1215 0.0434 C.2 1 noname 0.0884 15 H1 2.5839 2.2187 -1.5437 H 1 noname 0.0266 16 H2 2.8001 2.3631 0.2172 H 1 noname 0.0266 17 H3 3.1174 -0.1992 -1.4110 H 1 noname 0.0266 18 H4 3.3336 -0.0549 0.3499 H 1 noname 0.0266 19 H5 0.7553 0.5829 -1.1851 H 1 noname 0.0267 20 H6 0.9714 0.7272 0.5758 H 1 noname 0.0267 21 H7 4.9461 1.4367 -1.7696 H 1 noname 0.0267 22 H8 5.1622 1.5810 -0.0087 H 1 noname 0.0267 23 H9 0.2218 3.0008 -1.3178 H 1 noname 0.0270 24 H10 0.4380 3.1451 0.4431 H 1 noname 0.0270 25 H11 5.4795 -0.9813 -1.6369 H 1 noname 0.0290 26 H12 5.6957 -0.8370 0.1240 H 1 noname 0.0290 27 H13 -1.6069 1.3650 -0.9592 H 1 noname 0.0310 28 H14 -1.3907 1.5093 0.8017 H 1 noname 0.0310 29 H15 7.3082 0.6546 -1.9955 H 1 noname 0.0563 30 H16 7.5244 0.7989 -0.2346 H 1 noname 0.0563 31 H17 -1.7789 4.0838 -0.2613 H 1 noname 0.0578 32 H18 9.0019 -0.7226 -1.1909 H 1 noname 0.2100 33 H19 -3.8570 2.1264 0.1543 H 1 noname 0.0683 34 H20 -6.2388 4.6096 -0.1858 H 1 noname 0.2216 @BOND 1 1 11 1 2 1 32 1 3 2 14 1 4 2 34 1 5 3 14 2 6 4 5 1 7 4 6 1 8 4 15 1 9 4 16 1 10 5 7 1 11 5 17 1 12 5 18 1 13 6 8 1 14 6 19 1 15 6 20 1 16 7 9 1 17 7 21 1 18 7 22 1 19 8 10 1 20 8 23 1 21 8 24 1 22 9 11 1 23 9 25 1 24 9 26 1 25 10 12 1 26 10 27 1 27 10 28 1 28 11 29 1 29 11 30 1 30 12 13 2 31 12 31 1 32 13 14 1 33 13 33 1 @SUBSTRUCTURE 1 noname 1