@MOLECULE FDBD00064 65 66 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.0725 1.0512 -0.1760 O.3 1 UNK -0.4604 2 O1 6.1393 -0.3040 -0.0677 O.3 1 UNK -0.3876 3 O2 -2.5200 -1.8874 -2.8013 O.3 1 UNK -0.3917 4 O3 2.4487 2.5277 -1.9083 O.2 1 UNK -0.2505 5 O4 -4.3406 1.3492 -0.6493 O.3 1 UNK -0.3913 6 O5 -7.7821 1.3214 0.9787 O.co2 1 UNK -0.5497 7 O6 -5.7691 1.2721 2.0323 O.co2 1 UNK -0.5497 8 C 2.1529 -1.4097 -0.2366 C.3 1 UNK 0.0245 9 C1 0.6468 -1.5435 0.1347 C.3 1 UNK -0.0247 10 C2 2.5105 -0.0733 -0.9351 C.3 1 UNK 0.1127 11 C3 0.3536 -2.9088 0.8248 C.3 1 UNK -0.0219 12 C4 -0.2825 -1.3083 -1.0619 C.3 1 UNK -0.0467 13 C5 3.0401 -1.6582 0.9829 C.2 1 UNK -0.0423 14 C6 4.0224 0.0358 -1.1298 C.3 1 UNK 0.0146 15 C7 4.7713 -0.0095 0.2038 C.3 1 UNK 0.0773 16 C8 1.3676 -3.2024 1.8999 C.2 1 UNK -0.0806 17 C9 -1.7432 -1.2621 -0.6165 C.3 1 UNK -0.0265 18 C10 4.2124 -1.0215 1.1616 C.2 1 UNK -0.0522 19 C11 2.5704 -2.6174 1.9656 C.2 1 UNK -0.0621 20 C12 0.2819 -4.1040 -0.1313 C.3 1 UNK -0.0587 21 C13 -2.7258 -0.9403 -1.7504 C.3 1 UNK 0.0576 22 C14 -4.2122 -0.9594 -1.3607 C.3 1 UNK -0.0004 23 C15 2.3557 2.2767 -0.7135 C.2 1 UNK 0.3102 24 C16 -4.6043 0.0093 -0.2383 C.3 1 UNK 0.0626 25 C17 2.5708 3.2886 0.3992 C.3 1 UNK 0.0534 26 C18 -6.0963 -0.1064 0.0742 C.3 1 UNK 0.0130 27 C19 1.2586 3.9874 0.7839 C.3 1 UNK -0.0432 28 C20 3.6125 4.3016 -0.0672 C.3 1 UNK -0.0523 29 C21 0.1954 3.0092 1.2670 C.3 1 UNK -0.0645 30 C22 -6.5073 0.8861 1.1352 C.2 1 UNK 0.0442 31 H 6.4947 0.3528 -0.6867 H 1 UNK 0.2102 32 H1 -1.5847 -1.8868 -3.0585 H 1 UNK 0.2098 33 H2 -3.3971 1.4451 -0.8531 H 1 UNK 0.2098 34 H3 2.3466 -2.1711 -0.9630 H 1 UNK 0.0388 35 H4 0.4355 -0.7653 0.8380 H 1 UNK 0.0313 36 H5 2.0114 -0.0709 -1.8815 H 1 UNK 0.0741 37 H6 -0.6220 -2.7910 1.2482 H 1 UNK 0.0343 38 H7 -0.1558 -2.1042 -1.7657 H 1 UNK 0.0269 39 H8 -0.0318 -0.3697 -1.5103 H 1 UNK 0.0269 40 H9 4.2427 0.9612 -1.6196 H 1 UNK 0.0329 41 H10 4.3429 -0.7972 -1.7199 H 1 UNK 0.0329 42 H11 4.6616 0.9432 0.6784 H 1 UNK 0.0639 43 H12 1.1214 -3.8929 2.6262 H 1 UNK 0.0575 44 H13 -1.8420 -0.5109 0.1391 H 1 UNK 0.0290 45 H14 -1.9908 -2.2390 -0.2571 H 1 UNK 0.0290 46 H15 4.7600 -1.2423 2.0080 H 1 UNK 0.0600 47 H16 3.1928 -2.8601 2.7522 H 1 UNK 0.0617 48 H17 1.2406 -4.2597 -0.5802 H 1 UNK 0.0235 49 H18 -0.4416 -3.9072 -0.8947 H 1 UNK 0.0235 50 H19 -0.0034 -4.9798 0.4133 H 1 UNK 0.0235 51 H20 -2.5174 0.0674 -2.0436 H 1 UNK 0.0594 52 H21 -4.4587 -1.9511 -1.0435 H 1 UNK 0.0315 53 H22 -4.7514 -0.6425 -2.2289 H 1 UNK 0.0315 54 H23 -4.0331 -0.2384 0.6319 H 1 UNK 0.0598 55 H24 2.9198 2.7844 1.2760 H 1 UNK 0.0410 56 H25 -6.3048 -1.0965 0.4221 H 1 UNK 0.0350 57 H26 -6.6480 0.1021 -0.8186 H 1 UNK 0.0350 58 H27 0.8828 4.5069 -0.0727 H 1 UNK 0.0270 59 H28 1.4722 4.6586 1.5893 H 1 UNK 0.0270 60 H29 3.2565 4.8014 -0.9438 H 1 UNK 0.0238 61 H30 4.5273 3.7944 -0.2925 H 1 UNK 0.0238 62 H31 3.7841 5.0193 0.7077 H 1 UNK 0.0238 63 H32 -0.0407 2.3223 0.4813 H 1 UNK 0.0230 64 H33 -0.6855 3.5488 1.5456 H 1 UNK 0.0230 65 H34 0.5656 2.4694 2.1134 H 1 UNK 0.0230 @BOND 1 1 10 1 2 1 23 1 3 2 15 1 4 3 21 1 5 4 23 2 6 5 24 1 7 6 30 ar 8 7 30 ar 9 8 9 1 10 8 10 1 11 8 13 1 12 9 11 1 13 9 12 1 14 10 14 1 15 11 16 1 16 11 20 1 17 12 17 1 18 13 18 2 19 13 19 1 20 14 15 1 21 15 18 1 22 16 19 2 23 17 21 1 24 21 22 1 25 22 24 1 26 23 25 1 27 24 26 1 28 25 27 1 29 25 28 1 30 26 30 1 31 27 29 1 32 2 31 1 33 3 32 1 34 5 33 1 35 8 34 1 36 9 35 1 37 10 36 1 38 11 37 1 39 12 38 1 40 12 39 1 41 14 40 1 42 14 41 1 43 15 42 1 44 16 43 1 45 17 44 1 46 17 45 1 47 18 46 1 48 19 47 1 49 20 48 1 50 20 49 1 51 20 50 1 52 21 51 1 53 22 52 1 54 22 53 1 55 24 54 1 56 25 55 1 57 26 56 1 58 26 57 1 59 27 58 1 60 27 59 1 61 28 60 1 62 28 61 1 63 28 62 1 64 29 63 1 65 29 64 1 66 29 65 1