@MOLECULE FDBD01060 50 50 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.5132 1.6389 -0.2927 O.3 1 UNK -0.4889 2 O1 4.2191 2.2760 -0.2294 O.3 1 UNK -0.3831 3 O2 -3.8074 0.2033 -0.0444 O.3 1 UNK -0.4255 4 O3 -3.1604 -1.8844 0.7937 O.2 1 UNK -0.2507 5 N 3.3361 -1.1507 0.8610 N.4 1 UNK 0.2307 6 C 3.6878 1.2944 0.6654 C.3 1 UNK 0.1285 7 C1 3.8846 -0.0853 0.0329 C.3 1 UNK -0.0035 8 C2 3.4859 -2.4454 0.2108 C.3 1 UNK -0.0283 9 C3 2.2238 1.6299 0.9415 C.3 1 UNK 0.1204 10 C4 0.1936 1.2768 -0.2454 C.ar 1 UNK 0.1242 11 C5 -0.4123 0.6637 -1.3379 C.ar 1 UNK -0.0024 12 C6 -1.7579 0.3023 -1.2710 C.ar 1 UNK -0.0015 13 C7 -1.8791 1.1706 0.9803 C.ar 1 UNK -0.0043 14 C8 -2.4913 0.5558 -0.1118 C.ar 1 UNK 0.1379 15 C9 2.7618 -2.4497 -1.1325 C.3 1 UNK -0.0219 16 C10 2.9470 -3.5393 1.1272 C.3 1 UNK -0.0219 17 C11 -0.5335 1.5321 0.9134 C.ar 1 UNK -0.0133 18 C12 0.3806 0.3952 -2.5773 C.3 1 UNK -0.0359 19 C13 -2.4197 -0.3572 -2.4390 C.3 1 UNK -0.0359 20 C14 -2.6472 1.4506 2.2299 C.3 1 UNK -0.0361 21 C15 -4.0267 -1.0935 0.4449 C.2 1 UNK 0.3092 22 C16 -5.4978 -1.3842 0.4803 C.3 1 UNK 0.0336 23 H 5.1500 2.0752 -0.4139 H 1 UNK 0.2102 24 H1 2.3451 -0.9711 1.0227 H 1 UNK 0.2017 25 H2 3.8442 -1.1699 1.7452 H 1 UNK 0.2017 26 H3 4.1923 1.2896 1.6090 H 1 UNK 0.0681 27 H4 3.3957 -0.1015 -0.9188 H 1 UNK 0.0841 28 H5 4.9363 -0.2546 -0.0681 H 1 UNK 0.0841 29 H6 4.5227 -2.6336 0.0248 H 1 UNK 0.0845 30 H7 1.8029 0.8930 1.5932 H 1 UNK 0.0725 31 H8 2.1532 2.5902 1.4081 H 1 UNK 0.0725 32 H9 1.7198 -2.2634 -0.9766 H 1 UNK 0.0284 33 H10 2.8873 -3.4028 -1.6023 H 1 UNK 0.0284 34 H11 3.1706 -1.6859 -1.7605 H 1 UNK 0.0284 35 H12 1.9097 -3.3629 1.3215 H 1 UNK 0.0284 36 H13 3.4891 -3.5309 2.0497 H 1 UNK 0.0284 37 H14 3.0642 -4.4914 0.6533 H 1 UNK 0.0284 38 H15 -0.0788 1.9872 1.7203 H 1 UNK 0.0658 39 H16 1.3843 0.7398 -2.4402 H 1 UNK 0.0279 40 H17 -0.0636 0.9101 -3.4034 H 1 UNK 0.0279 41 H18 0.3884 -0.6564 -2.7749 H 1 UNK 0.0279 42 H19 -1.7113 -0.4713 -3.2327 H 1 UNK 0.0279 43 H20 -3.2366 0.2472 -2.7742 H 1 UNK 0.0279 44 H21 -2.7847 -1.3193 -2.1457 H 1 UNK 0.0279 45 H22 -3.6555 1.1123 2.1122 H 1 UNK 0.0279 46 H23 -2.6443 2.5032 2.4221 H 1 UNK 0.0279 47 H24 -2.1922 0.9369 3.0509 H 1 UNK 0.0279 48 H25 -6.0384 -0.5320 0.1248 H 1 UNK 0.0342 49 H26 -5.7944 -1.6010 1.4852 H 1 UNK 0.0342 50 H27 -5.7100 -2.2270 -0.1439 H 1 UNK 0.0342 @BOND 1 1 9 1 2 1 10 1 3 2 6 1 4 3 14 1 5 3 21 1 6 4 21 2 7 5 7 1 8 5 8 1 9 6 7 1 10 6 9 1 11 8 15 1 12 8 16 1 13 10 11 ar 14 10 17 ar 15 11 12 ar 16 11 18 1 17 12 14 ar 18 12 19 1 19 13 14 ar 20 13 17 ar 21 13 20 1 22 21 22 1 23 2 23 1 24 5 24 1 25 5 25 1 26 6 26 1 27 7 27 1 28 7 28 1 29 8 29 1 30 9 30 1 31 9 31 1 32 15 32 1 33 15 33 1 34 15 34 1 35 16 35 1 36 16 36 1 37 16 37 1 38 17 38 1 39 18 39 1 40 18 40 1 41 18 41 1 42 19 42 1 43 19 43 1 44 19 44 1 45 20 45 1 46 20 46 1 47 20 47 1 48 22 48 1 49 22 49 1 50 22 50 1