@MOLECULE DB03941 34 34 1 SMALL USER_CHARGES @ATOM 1 O1 -0.5295 -1.2271 -0.2587 O.3 1 noname -0.2872 2 C1 0.0323 -0.0126 -0.0799 C.2 1 noname -0.0099 3 C2 1.4033 0.1496 -0.2419 C.2 1 noname -0.0341 4 C3 -0.7602 1.0756 0.2661 C.2 1 noname -0.0341 5 C4 1.9818 1.4000 -0.0578 C.2 1 noname -0.0550 6 C5 -0.1817 2.3261 0.4502 C.2 1 noname -0.0550 7 C6 1.1892 2.4883 0.2882 C.2 1 noname -0.0692 8 C7 1.7968 3.8017 0.4816 C.3 1 noname 0.0032 9 C8 1.8087 4.5588 -0.8479 C.3 1 noname -0.0492 10 C9 2.4454 5.9352 -0.6453 C.3 1 noname -0.0530 11 C10 2.4573 6.6923 -1.9748 C.3 1 noname -0.0533 12 C11 3.0941 8.0687 -1.7721 C.3 1 noname -0.0535 13 C12 3.1060 8.8258 -3.1016 C.3 1 noname -0.0561 14 C13 3.7427 10.2022 -2.8990 C.3 1 noname -0.0654 15 H1 -0.7130 -1.6237 0.5961 H 1 noname 0.2181 16 H2 2.0248 -0.7038 -0.5132 H 1 noname 0.0650 17 H3 -1.8353 0.9484 0.3932 H 1 noname 0.0650 18 H4 3.0568 1.5272 -0.1848 H 1 noname 0.0626 19 H5 -0.8032 3.1794 0.7216 H 1 noname 0.0626 20 H6 1.1365 4.3403 1.1613 H 1 noname 0.0316 21 H7 2.8331 3.6141 0.7629 H 1 noname 0.0316 22 H8 2.4642 4.0047 -1.5197 H 1 noname 0.0270 23 H9 0.7677 4.7309 -1.1213 H 1 noname 0.0270 24 H10 1.7899 6.4893 0.0265 H 1 noname 0.0267 25 H11 3.4865 5.7631 -0.3718 H 1 noname 0.0267 26 H12 3.1129 6.1382 -2.6466 H 1 noname 0.0266 27 H13 1.4163 6.8644 -2.2482 H 1 noname 0.0266 28 H14 2.4385 8.6228 -1.1003 H 1 noname 0.0266 29 H15 4.1351 7.8966 -1.4987 H 1 noname 0.0266 30 H16 3.7615 8.2717 -3.7734 H 1 noname 0.0264 31 H17 2.0649 8.9979 -3.3751 H 1 noname 0.0264 32 H18 3.8368 10.4055 -1.8323 H 1 noname 0.0230 33 H19 4.7302 10.2172 -3.3602 H 1 noname 0.0230 34 H20 3.1147 10.9645 -3.3602 H 1 noname 0.0230 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 2 7 6 7 1 8 7 8 1 9 8 9 1 10 9 10 1 11 10 11 1 12 11 12 1 13 12 13 1 14 13 14 1 15 1 15 1 16 3 16 1 17 4 17 1 18 5 18 1 19 6 19 1 20 8 20 1 21 8 21 1 22 9 22 1 23 9 23 1 24 10 24 1 25 10 25 1 26 11 26 1 27 11 27 1 28 12 28 1 29 12 29 1 30 13 30 1 31 13 31 1 32 14 32 1 33 14 33 1 34 14 34 1 @SUBSTRUCTURE 1 noname 1