@MOLECULE 58446461 34 34 1 SMALL USER_CHARGES @ATOM 1 O1 3.4207 1.9425 -0.5974 O.3 1 noname -0.2859 2 C1 0.4752 -0.1888 0.0647 C.2 1 noname -0.0528 3 C2 1.8490 0.2168 0.1167 C.2 1 noname -0.0401 4 C3 2.8841 -0.5583 0.9118 C.3 1 noname 0.0195 5 C4 -0.0307 -1.4442 0.7419 C.3 1 noname 0.0116 6 C5 -0.4352 0.5873 -0.7054 C.2 1 noname -0.0819 7 C6 2.2001 1.4095 -0.5750 C.2 1 noname -0.0103 8 C7 -0.0476 1.7634 -1.3561 C.2 1 noname -0.0596 9 C8 2.8306 -0.0793 2.3919 C.3 1 noname -0.0586 10 C9 4.3305 -0.6233 0.3365 C.3 1 noname -0.0586 11 C10 0.1830 -2.6544 -0.2053 C.3 1 noname -0.0587 12 C11 -1.4976 -1.3539 1.2363 C.3 1 noname -0.0587 13 C12 1.2831 2.1739 -1.2866 C.2 1 noname -0.0472 14 C13 -1.0325 2.5362 -2.1111 C.3 1 noname -0.0017 15 H1 2.6292 -1.6195 0.9264 H 1 noname 0.0347 16 H2 0.4975 -1.6553 1.6768 H 1 noname 0.0346 17 H3 -1.4139 0.3255 -0.8293 H 1 noname 0.0628 18 H4 3.5235 -0.6758 2.9899 H 1 noname 0.0236 19 H5 1.8353 -0.1792 2.8468 H 1 noname 0.0236 20 H6 3.1102 0.9719 2.4388 H 1 noname 0.0236 21 H7 4.8972 -1.4095 0.8666 H 1 noname 0.0236 22 H8 4.2482 -0.8588 -0.7338 H 1 noname 0.0236 23 H9 4.8637 0.3330 0.4552 H 1 noname 0.0236 24 H10 -0.1165 -3.5759 0.3000 H 1 noname 0.0236 25 H11 -0.4163 -2.5197 -1.1072 H 1 noname 0.0236 26 H12 1.2270 -2.7661 -0.5113 H 1 noname 0.0236 27 H13 -1.7671 -2.2531 1.8018 H 1 noname 0.0236 28 H14 -2.1924 -1.2935 0.3966 H 1 noname 0.0236 29 H15 -1.5942 -0.4627 1.8746 H 1 noname 0.0236 30 H16 1.5832 3.0399 -1.7553 H 1 noname 0.0652 31 H17 -1.4357 1.8907 -2.8919 H 1 noname 0.0279 32 H18 -1.8167 2.8486 -1.4214 H 1 noname 0.0279 33 H19 -0.5685 3.4114 -2.5619 H 1 noname 0.0279 34 H20 3.7789 1.6425 0.2394 H 1 noname 0.2182 @BOND 1 1 7 1 2 1 34 1 3 2 3 2 4 2 5 1 5 2 6 1 6 3 4 1 7 3 7 1 8 4 9 1 9 4 10 1 10 4 15 1 11 5 11 1 12 5 12 1 13 5 16 1 14 6 8 2 15 6 17 1 16 7 13 2 17 8 13 1 18 8 14 1 19 9 18 1 20 9 19 1 21 9 20 1 22 10 21 1 23 10 22 1 24 10 23 1 25 11 24 1 26 11 25 1 27 11 26 1 28 12 27 1 29 12 28 1 30 12 29 1 31 13 30 1 32 14 31 1 33 14 32 1 34 14 33 1 @SUBSTRUCTURE 1 noname 1