@MOLECULE DB00825 31 31 1 SMALL USER_CHARGES @ATOM 1 O1 -0.2568 -0.0905 -1.4395 O.3 1 noname -0.3927 2 C1 0.3698 0.0329 -0.1780 C.3 1 noname 0.0574 3 C2 1.6153 0.9774 -0.2931 C.3 1 noname -0.0129 4 C3 -0.7525 0.4405 0.8128 C.3 1 noname -0.0241 5 C4 2.8762 0.1359 -0.4997 C.3 1 noname -0.0418 6 C5 1.8275 1.9500 0.9264 C.3 1 noname -0.0475 7 C6 -0.8599 1.9831 1.0666 C.3 1 noname -0.0418 8 C7 2.7375 -0.6839 -1.7841 C.3 1 noname -0.0624 9 C8 4.0920 1.0579 -0.6120 C.3 1 noname -0.0624 10 C9 0.5157 2.6608 1.4261 C.3 1 noname -0.0502 11 C10 -1.4561 2.6628 -0.1678 C.3 1 noname -0.0624 12 H1 -0.3634 -1.0201 -1.6542 H 1 noname 0.2104 13 H2 0.7665 -0.9358 0.1259 H 1 noname 0.0603 14 H3 1.4392 1.6067 -1.1655 H 1 noname 0.0331 15 H4 -1.6866 0.1509 0.3314 H 1 noname 0.0295 16 H5 -0.4725 -0.0011 1.7692 H 1 noname 0.0295 17 H6 3.0073 -0.5365 0.3481 H 1 noname 0.0301 18 H7 2.1551 1.3199 1.7533 H 1 noname 0.0270 19 H8 2.4738 2.7473 0.5595 H 1 noname 0.0270 20 H9 -1.5278 2.1227 1.9166 H 1 noname 0.0301 21 H10 2.7636 -1.7463 -1.5417 H 1 noname 0.0233 22 H11 1.7901 -0.4447 -2.2672 H 1 noname 0.0233 23 H12 3.5598 -0.4447 -2.4584 H 1 noname 0.0233 24 H13 4.4408 1.3225 0.3862 H 1 noname 0.0233 25 H14 4.8884 0.5450 -1.1512 H 1 noname 0.0233 26 H15 3.8129 1.9632 -1.1512 H 1 noname 0.0233 27 H16 0.5726 2.6263 2.5140 H 1 noname 0.0269 28 H17 0.5012 3.6214 0.9112 H 1 noname 0.0269 29 H18 -1.7962 1.9035 -0.8719 H 1 noname 0.0233 30 H19 -2.2998 3.2845 0.1317 H 1 noname 0.0233 31 H20 -0.6970 3.2845 -0.6424 H 1 noname 0.0233 @BOND 1 2 1 1 2 2 3 1 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 1 7 5 8 1 8 5 9 1 9 6 10 1 10 7 11 1 11 7 10 1 12 1 12 1 13 2 13 1 14 3 14 1 15 4 15 1 16 4 16 1 17 5 17 1 18 6 18 1 19 6 19 1 20 7 20 1 21 8 21 1 22 8 22 1 23 8 23 1 24 9 24 1 25 9 25 1 26 9 26 1 27 10 27 1 28 10 28 1 29 11 29 1 30 11 30 1 31 11 31 1 @SUBSTRUCTURE 1 noname 1