@MOLECULE FDBD00281 53 54 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.1975 0.8553 0.1186 O.3 1 UNK -0.4611 2 O1 -3.9262 -0.3856 1.3106 O.3 1 UNK -0.4646 3 O2 1.4475 1.4611 2.2233 O.2 1 UNK -0.2452 4 O3 -3.6333 -1.4052 -0.7471 O.2 1 UNK -0.2452 5 O4 1.7280 -2.5995 1.9478 O.2 1 UNK -0.3961 6 O5 0.4359 -0.8420 2.1951 O.2 1 UNK -0.1300 7 N -1.6828 2.6716 -0.7372 N.pl3 1 UNK -0.3207 8 N1 0.9212 -1.7569 1.4885 N.4 1 UNK 0.0062 9 C -0.9434 0.1755 0.3810 C.3 1 UNK 0.0528 10 C1 -0.0180 1.3976 0.3618 C.2 1 UNK 0.0652 11 C2 -2.3579 0.4903 -0.1159 C.2 1 UNK 0.0652 12 C3 -0.3466 -0.9311 -0.4403 C.ar 1 UNK -0.0051 13 C4 -0.4110 2.5652 -0.1964 C.2 1 UNK 0.0157 14 C5 -2.6562 1.6881 -0.6679 C.2 1 UNK 0.0157 15 C6 1.2821 1.2501 1.0361 C.2 1 UNK 0.3375 16 C7 0.5439 -1.8417 0.1198 C.ar 1 UNK 0.1257 17 C8 -0.7040 -1.0269 -1.7818 C.ar 1 UNK -0.0555 18 C9 0.4303 3.8086 -0.3014 C.3 1 UNK -0.0260 19 C10 -3.3745 -0.5552 0.0848 C.2 1 UNK 0.3373 20 C11 -3.9952 2.0800 -1.2318 C.3 1 UNK -0.0260 21 C12 4.4555 0.2236 -0.5046 C.3 1 UNK -0.0123 22 C13 3.5226 0.6668 0.6258 C.3 1 UNK 0.0951 23 C14 1.0823 -2.8583 -0.6692 C.ar 1 UNK -0.0313 24 C15 -0.1653 -2.0435 -2.5708 C.ar 1 UNK -0.0613 25 C16 0.7278 -2.9590 -2.0145 C.ar 1 UNK -0.0596 26 C17 5.8508 -0.0718 0.0411 C.3 1 UNK -0.0596 27 C18 4.5297 1.2775 -1.6115 C.3 1 UNK -0.0596 28 C19 -4.9408 -1.3345 1.6560 C.3 1 UNK 0.0820 29 H 1.9872 -2.5581 2.8473 H 1 UNK 0.3292 30 H1 -1.9112 3.5073 -1.2048 H 1 UNK 0.1516 31 H2 -1.0332 -0.1316 1.4021 H 1 UNK 0.0452 32 H3 -1.3650 -0.3485 -2.1914 H 1 UNK 0.0621 33 H4 -0.1311 4.5791 -0.7871 H 1 UNK 0.0290 34 H5 1.3111 3.5963 -0.8706 H 1 UNK 0.0290 35 H6 0.7091 4.1344 0.6789 H 1 UNK 0.0290 36 H7 -3.9467 3.0828 -1.6018 H 1 UNK 0.0290 37 H8 -4.7375 2.0188 -0.4636 H 1 UNK 0.0290 38 H9 -4.2535 1.4170 -2.0309 H 1 UNK 0.0290 39 H10 4.0527 -0.6720 -0.9294 H 1 UNK 0.0328 40 H11 3.5072 -0.0840 1.3880 H 1 UNK 0.0700 41 H12 3.8779 1.5898 1.0342 H 1 UNK 0.0700 42 H13 1.7429 -3.5359 -0.2576 H 1 UNK 0.0640 43 H14 -0.4276 -2.1181 -3.5661 H 1 UNK 0.0618 44 H15 1.1264 -3.7109 -2.5982 H 1 UNK 0.0618 45 H16 6.2625 0.8186 0.4685 H 1 UNK 0.0233 46 H17 6.4809 -0.4097 -0.7549 H 1 UNK 0.0233 47 H18 5.7866 -0.8312 0.7921 H 1 UNK 0.0233 48 H19 4.9303 2.1860 -1.2127 H 1 UNK 0.0233 49 H20 3.5483 1.4594 -1.9971 H 1 UNK 0.0233 50 H21 5.1624 0.9240 -2.3987 H 1 UNK 0.0233 51 H22 -5.3125 -1.1185 2.6358 H 1 UNK 0.0661 52 H23 -4.5265 -2.3209 1.6411 H 1 UNK 0.0661 53 H24 -5.7418 -1.2734 0.9492 H 1 UNK 0.0661 @BOND 1 1 15 1 2 1 22 1 3 2 19 1 4 2 28 1 5 3 15 2 6 4 19 2 7 5 8 1 8 6 8 2 9 7 13 1 10 7 14 1 11 8 16 1 12 9 10 1 13 9 11 1 14 9 12 1 15 10 13 2 16 10 15 1 17 11 14 2 18 11 19 1 19 12 16 ar 20 12 17 ar 21 13 18 1 22 14 20 1 23 16 23 ar 24 17 24 ar 25 21 22 1 26 21 26 1 27 21 27 1 28 23 25 ar 29 24 25 ar 30 5 29 1 31 7 30 1 32 9 31 1 33 17 32 1 34 18 33 1 35 18 34 1 36 18 35 1 37 20 36 1 38 20 37 1 39 20 38 1 40 21 39 1 41 22 40 1 42 22 41 1 43 23 42 1 44 24 43 1 45 25 44 1 46 26 45 1 47 26 46 1 48 26 47 1 49 27 48 1 50 27 49 1 51 27 50 1 52 28 51 1 53 28 52 1 54 28 53 1