@MOLECULE FDBD00633 58 58 0 0 0 SMALL GASTEIGER @ATOM 1 O 5.3811 0.3685 -0.1992 O.3 1 UNK -0.3908 2 O1 2.2985 3.8782 0.3014 O.2 1 UNK -0.2970 3 O2 3.1346 -4.2357 -0.5984 O.3 1 UNK -0.3878 4 O3 -5.1633 -0.3904 -1.3306 O.co2 1 UNK -0.5498 5 O4 -4.8341 1.6516 -2.2679 O.co2 1 UNK -0.5498 6 C 1.9025 1.5209 -0.1221 C.3 1 UNK 0.0262 7 C1 2.9679 0.4207 -0.0004 C.3 1 UNK 0.0131 8 C2 4.2148 1.0446 -0.6413 C.3 1 UNK 0.0688 9 C3 4.2154 2.4903 -0.1496 C.3 1 UNK 0.0327 10 C4 0.8055 1.4158 0.9228 C.3 1 UNK -0.0429 11 C5 2.7472 2.7675 0.0463 C.2 1 UNK 0.1395 12 C6 -0.4109 2.2640 0.5474 C.3 1 UNK -0.0524 13 C7 2.5530 -0.8569 -0.6571 C.2 1 UNK -0.0793 14 C8 -1.4966 2.1834 1.6224 C.3 1 UNK -0.0530 15 C9 2.4626 -2.0310 -0.0154 C.2 1 UNK -0.0595 16 C10 -2.7435 3.0099 1.2932 C.3 1 UNK -0.0527 17 C11 2.0465 -3.3132 -0.6801 C.3 1 UNK 0.0734 18 C12 0.8348 -3.9700 -0.0048 C.3 1 UNK -0.0232 19 C13 -3.4623 2.6424 -0.0080 C.3 1 UNK -0.0480 20 C14 -0.3882 -3.0511 0.0672 C.3 1 UNK -0.0504 21 C15 -4.0096 1.2156 -0.0185 C.3 1 UNK -0.0132 22 C16 -1.5739 -3.6749 0.8106 C.3 1 UNK -0.0532 23 C17 -2.8199 -2.7886 0.8232 C.3 1 UNK -0.0559 24 C18 -4.7003 0.8871 -1.3227 C.2 1 UNK 0.0417 25 C19 -3.9618 -3.4486 1.5815 C.3 1 UNK -0.0653 26 H 5.3652 -0.5469 -0.5195 H 1 UNK 0.2098 27 H1 3.9188 -3.8487 -1.0181 H 1 UNK 0.2102 28 H2 1.3512 1.4819 -1.0383 H 1 UNK 0.0384 29 H3 3.1397 0.1298 1.0149 H 1 UNK 0.0375 30 H4 4.2047 0.9800 -1.7093 H 1 UNK 0.0603 31 H5 4.6390 3.1473 -0.8802 H 1 UNK 0.0367 32 H6 4.7999 2.6406 0.7339 H 1 UNK 0.0367 33 H7 1.1879 1.7537 1.8633 H 1 UNK 0.0272 34 H8 0.4958 0.3933 0.9821 H 1 UNK 0.0272 35 H9 -0.8108 1.9092 -0.3795 H 1 UNK 0.0265 36 H10 -0.0980 3.2834 0.4586 H 1 UNK 0.0265 37 H11 2.3228 -0.8338 -1.6628 H 1 UNK 0.0574 38 H12 -1.0875 2.5399 2.5446 H 1 UNK 0.0265 39 H13 -1.8038 1.1603 1.6839 H 1 UNK 0.0265 40 H14 2.6914 -2.0555 0.9906 H 1 UNK 0.0594 41 H15 -2.4488 4.0364 1.2268 H 1 UNK 0.0265 42 H16 -3.4419 2.8074 2.0781 H 1 UNK 0.0265 43 H17 1.7793 -3.0765 -1.6888 H 1 UNK 0.0637 44 H18 1.1100 -4.2482 0.9911 H 1 UNK 0.0293 45 H19 0.5610 -4.8173 -0.5981 H 1 UNK 0.0293 46 H20 -2.7710 2.7462 -0.8181 H 1 UNK 0.0269 47 H21 -4.2995 3.3019 -0.1028 H 1 UNK 0.0269 48 H22 -0.6974 -2.8189 -0.9305 H 1 UNK 0.0266 49 H23 -0.0964 -2.1784 0.6131 H 1 UNK 0.0266 50 H24 -4.7119 1.1085 0.7816 H 1 UNK 0.0325 51 H25 -3.1857 0.5432 0.0993 H 1 UNK 0.0325 52 H26 -1.2797 -3.8602 1.8225 H 1 UNK 0.0265 53 H27 -1.8326 -4.5745 0.2922 H 1 UNK 0.0265 54 H28 -3.1295 -2.6086 -0.1851 H 1 UNK 0.0263 55 H29 -2.5753 -1.8701 1.3146 H 1 UNK 0.0263 56 H30 -4.2211 -4.3705 1.1042 H 1 UNK 0.0230 57 H31 -4.8110 -2.7976 1.5850 H 1 UNK 0.0230 58 H32 -3.6565 -3.6419 2.5886 H 1 UNK 0.0230 @BOND 1 1 8 1 2 2 11 2 3 3 17 1 4 4 24 ar 5 5 24 ar 6 6 7 1 7 6 10 1 8 6 11 1 9 7 8 1 10 7 13 1 11 8 9 1 12 9 11 1 13 10 12 1 14 12 14 1 15 13 15 2 16 14 16 1 17 15 17 1 18 16 19 1 19 17 18 1 20 18 20 1 21 19 21 1 22 20 22 1 23 21 24 1 24 22 23 1 25 23 25 1 26 1 26 1 27 3 27 1 28 6 28 1 29 7 29 1 30 8 30 1 31 9 31 1 32 9 32 1 33 10 33 1 34 10 34 1 35 12 35 1 36 12 36 1 37 13 37 1 38 14 38 1 39 14 39 1 40 15 40 1 41 16 41 1 42 16 42 1 43 17 43 1 44 18 44 1 45 18 45 1 46 19 46 1 47 19 47 1 48 20 48 1 49 20 49 1 50 21 50 1 51 21 51 1 52 22 52 1 53 22 53 1 54 23 54 1 55 23 55 1 56 25 56 1 57 25 57 1 58 25 58 1