@MOLECULE FDBD00024 49 48 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.1813 -0.9790 -0.6113 O.co2 1 UNK -0.5498 2 O1 4.5798 0.2316 1.2706 O.co2 1 UNK -0.5498 3 C 0.7602 2.7874 0.0367 C.3 1 UNK -0.0530 4 C1 -0.6525 2.2005 0.1142 C.3 1 UNK -0.0528 5 C2 1.8161 1.7643 -0.3899 C.3 1 UNK -0.0527 6 C3 -1.6977 3.2044 0.6150 C.3 1 UNK -0.0496 7 C4 3.2191 2.3801 -0.3787 C.3 1 UNK -0.0480 8 C5 -3.0946 2.5857 0.7615 C.3 1 UNK -0.0348 9 C6 4.2931 1.3937 -0.8275 C.3 1 UNK -0.0132 10 C7 -3.7513 2.0080 -0.4639 C.2 1 UNK -0.0876 11 C8 4.3720 0.1808 0.0653 C.2 1 UNK 0.0417 12 C9 -4.1060 0.7309 -0.6733 C.2 1 UNK -0.0842 13 C10 -3.8919 -0.3667 0.3290 C.3 1 UNK -0.0165 14 C11 -3.7767 -1.7053 -0.3402 C.2 1 UNK -0.0839 15 C12 -2.6093 -2.2665 -0.6898 C.2 1 UNK -0.0839 16 C13 -1.2726 -1.6257 -0.4552 C.3 1 UNK -0.0165 17 C14 -0.7328 -1.9587 0.9051 C.2 1 UNK -0.0842 18 C15 0.0570 -3.0132 1.1573 C.2 1 UNK -0.0879 19 C16 0.5000 -3.9923 0.1107 C.3 1 UNK -0.0376 20 C17 1.8070 -3.5600 -0.5356 C.3 1 UNK -0.0618 21 H 1.0244 3.1664 1.0018 H 1 UNK 0.0265 22 H1 0.7444 3.5567 -0.7068 H 1 UNK 0.0265 23 H2 -0.6371 1.3643 0.7817 H 1 UNK 0.0265 24 H3 -0.9339 1.9176 -0.8786 H 1 UNK 0.0265 25 H4 1.5923 1.4233 -1.3791 H 1 UNK 0.0265 26 H5 1.7979 0.9490 0.3028 H 1 UNK 0.0265 27 H6 -1.7542 4.0150 -0.0812 H 1 UNK 0.0268 28 H7 -1.3884 3.5346 1.5846 H 1 UNK 0.0268 29 H8 3.4441 2.7034 0.6162 H 1 UNK 0.0269 30 H9 3.2207 3.1986 -1.0678 H 1 UNK 0.0269 31 H10 -3.7420 3.3504 1.1372 H 1 UNK 0.0307 32 H11 -2.9441 1.7425 1.4028 H 1 UNK 0.0307 33 H12 5.2410 1.8900 -0.8168 H 1 UNK 0.0325 34 H13 4.0361 1.0580 -1.8104 H 1 UNK 0.0325 35 H14 -3.9515 2.6696 -1.2302 H 1 UNK 0.0569 36 H15 -4.5505 0.4897 -1.5729 H 1 UNK 0.0572 37 H16 -4.7202 -0.3862 1.0060 H 1 UNK 0.0350 38 H17 -2.9787 -0.1719 0.8514 H 1 UNK 0.0350 39 H18 -4.6456 -2.2239 -0.5431 H 1 UNK 0.0572 40 H19 -2.6318 -3.1918 -1.1462 H 1 UNK 0.0572 41 H20 -1.3771 -0.5640 -0.5372 H 1 UNK 0.0350 42 H21 -0.5884 -1.9995 -1.1881 H 1 UNK 0.0350 43 H22 -0.9839 -1.3404 1.6923 H 1 UNK 0.0572 44 H23 0.3783 -3.1593 2.1271 H 1 UNK 0.0569 45 H24 -0.2555 -4.0610 -0.6439 H 1 UNK 0.0305 46 H25 0.6544 -4.9410 0.5808 H 1 UNK 0.0305 47 H26 1.6727 -2.6113 -1.0120 H 1 UNK 0.0233 48 H27 2.1021 -4.2862 -1.2639 H 1 UNK 0.0233 49 H28 2.5658 -3.4783 0.2143 H 1 UNK 0.0233 @BOND 1 1 11 ar 2 2 11 ar 3 3 4 1 4 3 5 1 5 4 6 1 6 5 7 1 7 6 8 1 8 7 9 1 9 8 10 1 10 9 11 1 11 10 12 2 12 12 13 1 13 13 14 1 14 14 15 2 15 15 16 1 16 16 17 1 17 17 18 2 18 18 19 1 19 19 20 1 20 3 21 1 21 3 22 1 22 4 23 1 23 4 24 1 24 5 25 1 25 5 26 1 26 6 27 1 27 6 28 1 28 7 29 1 29 7 30 1 30 8 31 1 31 8 32 1 32 9 33 1 33 9 34 1 34 10 35 1 35 12 36 1 36 13 37 1 37 13 38 1 38 14 39 1 39 15 40 1 40 16 41 1 41 16 42 1 42 17 43 1 43 18 44 1 44 19 45 1 45 19 46 1 46 20 47 1 47 20 48 1 48 20 49 1