@MOLECULE FDBD01084 56 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.5242 0.2876 1.5118 O.2 1 UNK -0.4930 2 O1 -1.4595 -3.3787 -0.3403 O.3 1 UNK -0.3911 3 O2 3.4236 -2.8886 -2.0310 O.3 1 UNK -0.3878 4 O3 -3.2279 -0.6826 -1.8487 O.co2 1 UNK -0.5498 5 O4 -4.9519 0.7341 -1.4178 O.co2 1 UNK -0.5498 6 C -0.4042 -0.7216 1.9165 C.3 1 UNK 0.0115 7 C1 -1.9031 -0.8254 2.1781 C.3 1 UNK 0.1059 8 C2 -0.2014 -1.5475 0.6374 C.3 1 UNK 0.0099 9 C3 -1.1248 -2.7426 0.8813 C.3 1 UNK 0.0652 10 C4 -2.3677 -2.1363 1.5410 C.3 1 UNK 0.0112 11 C5 -0.1780 0.7643 1.7677 C.3 1 UNK 0.0114 12 C6 -1.5182 1.2169 1.2913 C.2 1 UNK 0.0946 13 C7 1.2261 -1.9326 0.4216 C.2 1 UNK -0.0796 14 C8 -1.7575 2.3679 0.6557 C.2 1 UNK -0.0464 15 C9 1.9219 -1.6303 -0.6843 C.2 1 UNK -0.0595 16 C10 3.3575 -2.0210 -0.8976 C.3 1 UNK 0.0734 17 C11 -3.1156 2.8018 0.1857 C.3 1 UNK -0.0310 18 C12 4.2671 -0.8187 -1.1848 C.3 1 UNK -0.0232 19 C13 -3.1518 2.9561 -1.3380 C.3 1 UNK -0.0444 20 C14 4.2212 0.2492 -0.0879 C.3 1 UNK -0.0504 21 C15 -2.8149 1.6566 -2.0637 C.3 1 UNK -0.0129 22 C16 5.0668 1.4860 -0.4085 C.3 1 UNK -0.0532 23 C17 5.0798 2.5232 0.7150 C.3 1 UNK -0.0559 24 C18 -3.7865 0.5487 -1.7430 C.2 1 UNK 0.0418 25 C19 5.9233 3.7333 0.3424 C.3 1 UNK -0.0653 26 H -0.6591 -3.7543 -0.7392 H 1 UNK 0.2098 27 H1 2.8571 -3.6614 -1.8801 H 1 UNK 0.2102 28 H2 0.2773 -1.0891 2.6550 H 1 UNK 0.0347 29 H3 -2.1481 -0.8105 3.2196 H 1 UNK 0.0736 30 H4 -0.4344 -1.0160 -0.2615 H 1 UNK 0.0372 31 H5 -0.6671 -3.4937 1.4907 H 1 UNK 0.0600 32 H6 -3.1239 -1.9470 0.8080 H 1 UNK 0.0326 33 H7 -2.7914 -2.7987 2.2667 H 1 UNK 0.0326 34 H8 0.5853 0.9743 1.0478 H 1 UNK 0.0347 35 H9 0.1564 1.2487 2.6613 H 1 UNK 0.0347 36 H10 1.7045 -2.4621 1.1671 H 1 UNK 0.0573 37 H11 -0.9594 2.9973 0.4770 H 1 UNK 0.0605 38 H12 1.4452 -1.1000 -1.4303 H 1 UNK 0.0594 39 H13 3.6970 -2.4893 0.0026 H 1 UNK 0.0637 40 H14 -3.3575 3.7411 0.6374 H 1 UNK 0.0309 41 H15 -3.8265 2.0533 0.4673 H 1 UNK 0.0309 42 H16 3.9591 -0.3721 -2.1071 H 1 UNK 0.0293 43 H17 5.2717 -1.1842 -1.2304 H 1 UNK 0.0293 44 H18 -2.4416 3.7034 -1.6244 H 1 UNK 0.0272 45 H19 -4.1475 3.2344 -1.6136 H 1 UNK 0.0272 46 H20 4.5830 -0.1828 0.8217 H 1 UNK 0.0266 47 H21 3.2050 0.5737 -0.0047 H 1 UNK 0.0266 48 H22 -1.8326 1.3464 -1.7742 H 1 UNK 0.0325 49 H23 -2.8730 1.8464 -3.1151 H 1 UNK 0.0325 50 H24 4.6727 1.9466 -1.2902 H 1 UNK 0.0265 51 H25 6.0749 1.1526 -0.5411 H 1 UNK 0.0265 52 H26 5.4848 2.0750 1.5982 H 1 UNK 0.0263 53 H27 4.0752 2.8512 0.8826 H 1 UNK 0.0263 54 H28 6.9333 3.4248 0.1705 H 1 UNK 0.0230 55 H29 5.8987 4.4448 1.1412 H 1 UNK 0.0230 56 H30 5.5311 4.1814 -0.5466 H 1 UNK 0.0230 @BOND 1 1 7 1 2 1 12 1 3 2 9 1 4 3 16 1 5 4 24 ar 6 5 24 ar 7 6 7 1 8 6 8 1 9 6 11 1 10 7 10 1 11 8 9 1 12 8 13 1 13 9 10 1 14 11 12 1 15 12 14 2 16 13 15 2 17 14 17 1 18 15 16 1 19 16 18 1 20 17 19 1 21 18 20 1 22 19 21 1 23 20 22 1 24 21 24 1 25 22 23 1 26 23 25 1 27 2 26 1 28 3 27 1 29 6 28 1 30 7 29 1 31 8 30 1 32 9 31 1 33 10 32 1 34 10 33 1 35 11 34 1 36 11 35 1 37 13 36 1 38 14 37 1 39 15 38 1 40 16 39 1 41 17 40 1 42 17 41 1 43 18 42 1 44 18 43 1 45 19 44 1 46 19 45 1 47 20 46 1 48 20 47 1 49 21 48 1 50 21 49 1 51 22 50 1 52 22 51 1 53 23 52 1 54 23 53 1 55 25 54 1 56 25 55 1 57 25 56 1