@MOLECULE FDBD01056 47 48 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.2566 1.4509 0.4233 O.3 1 UNK -0.4889 2 O1 2.5108 3.0190 1.0249 O.3 1 UNK -0.3831 3 O2 -4.8500 -1.5767 -0.4255 O.2 1 UNK -0.2920 4 N 3.1921 -0.1559 -0.7535 N.4 1 UNK 0.2327 5 C 3.7781 -1.4128 -0.3081 C.3 1 UNK -0.0203 6 C1 -0.8166 -1.1884 0.5337 C.3 1 UNK -0.0232 7 C2 -1.6603 0.0105 0.1938 C.ar 1 UNK 0.0047 8 C3 3.1039 0.7959 0.3455 C.3 1 UNK -0.0033 9 C4 -1.6628 -2.2994 1.1413 C.3 1 UNK -0.0419 10 C5 2.5007 2.1312 -0.0967 C.3 1 UNK 0.1285 11 C6 -2.8165 -2.6591 0.2196 C.3 1 UNK 0.0108 12 C7 -3.0223 -0.1164 -0.1205 C.ar 1 UNK 0.0240 13 C8 3.8550 -2.3671 -1.5046 C.3 1 UNK -0.0193 14 C9 5.1845 -1.1315 0.2313 C.3 1 UNK -0.0193 15 C10 2.9025 -2.0199 0.7945 C.3 1 UNK -0.0193 16 C11 -1.0682 1.2804 0.1448 C.ar 1 UNK 0.1244 17 C12 1.0675 2.0063 -0.6088 C.3 1 UNK 0.1204 18 C13 -3.6685 -1.4544 -0.1146 C.2 1 UNK 0.1635 19 C14 -3.7810 1.0124 -0.4521 C.ar 1 UNK -0.0508 20 C15 -1.8254 2.4044 -0.1866 C.ar 1 UNK -0.0196 21 C16 -3.1800 2.2705 -0.4817 C.ar 1 UNK -0.0576 22 H 3.4170 3.1067 1.3597 H 1 UNK 0.2102 23 H1 2.2557 -0.3343 -1.1165 H 1 UNK 0.2020 24 H2 3.7871 0.2409 -1.4808 H 1 UNK 0.2020 25 H3 -0.0639 -0.8981 1.2366 H 1 UNK 0.0315 26 H4 -0.3690 -1.5554 -0.3663 H 1 UNK 0.0315 27 H5 4.0870 0.9717 0.7295 H 1 UNK 0.0841 28 H6 2.4641 0.3769 1.0939 H 1 UNK 0.0841 29 H7 -2.0535 -1.9696 2.0813 H 1 UNK 0.0273 30 H8 -1.0485 -3.1647 1.2784 H 1 UNK 0.0273 31 H9 3.0924 2.4986 -0.9090 H 1 UNK 0.0681 32 H10 -3.4285 -3.3926 0.7016 H 1 UNK 0.0345 33 H11 -2.4060 -3.0383 -0.6929 H 1 UNK 0.0345 34 H12 4.4678 -1.9341 -2.2674 H 1 UNK 0.0287 35 H13 2.8712 -2.5356 -1.8903 H 1 UNK 0.0287 36 H14 4.2796 -3.2980 -1.1916 H 1 UNK 0.0287 37 H15 5.7865 -0.7085 -0.5456 H 1 UNK 0.0287 38 H16 5.6270 -2.0458 0.5675 H 1 UNK 0.0287 39 H17 5.1221 -0.4438 1.0486 H 1 UNK 0.0287 40 H18 1.9237 -2.2121 0.4073 H 1 UNK 0.0287 41 H19 2.8339 -1.3346 1.6134 H 1 UNK 0.0287 42 H20 3.3389 -2.9366 1.1322 H 1 UNK 0.0287 43 H21 0.6960 2.9733 -0.8766 H 1 UNK 0.0725 44 H22 1.0437 1.3720 -1.4702 H 1 UNK 0.0725 45 H23 -4.7839 0.9137 -0.6744 H 1 UNK 0.0625 46 H24 -1.3815 3.3357 -0.2131 H 1 UNK 0.0654 47 H25 -3.7397 3.1034 -0.7226 H 1 UNK 0.0619 @BOND 1 1 16 1 2 1 17 1 3 2 10 1 4 3 18 2 5 4 5 1 6 4 8 1 7 5 13 1 8 5 14 1 9 5 15 1 10 6 7 1 11 6 9 1 12 7 12 ar 13 7 16 ar 14 8 10 1 15 9 11 1 16 10 17 1 17 11 18 1 18 12 18 1 19 12 19 ar 20 16 20 ar 21 19 21 ar 22 20 21 ar 23 2 22 1 24 4 23 1 25 4 24 1 26 6 25 1 27 6 26 1 28 8 27 1 29 8 28 1 30 9 29 1 31 9 30 1 32 10 31 1 33 11 32 1 34 11 33 1 35 13 34 1 36 13 35 1 37 13 36 1 38 14 37 1 39 14 38 1 40 14 39 1 41 15 40 1 42 15 41 1 43 15 42 1 44 17 43 1 45 17 44 1 46 19 45 1 47 20 46 1 48 21 47 1