@MOLECULE FDBD00082 45 46 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.2421 1.4059 1.6782 O.3 1 UNK -0.3835 2 O1 3.5426 -0.4131 -1.6077 O.3 1 UNK -0.4951 3 N -2.3974 -2.3616 0.0088 N.4 1 UNK 0.2312 4 C -1.5979 -0.0487 -0.2112 C.3 1 UNK 0.0321 5 C1 -0.6980 1.0757 0.3899 C.3 1 UNK 0.0987 6 C2 -3.0394 0.4487 -0.4414 C.3 1 UNK -0.0424 7 C3 -0.7842 2.3543 -0.4812 C.3 1 UNK -0.0194 8 C4 -3.0802 1.7118 -1.2951 C.3 1 UNK -0.0524 9 C5 -2.2237 2.8207 -0.6986 C.3 1 UNK -0.0501 10 C6 -1.6466 -1.3078 0.6675 C.3 1 UNK -0.0265 11 C7 0.7637 0.6314 0.5226 C.ar 1 UNK -0.0122 12 C8 1.4939 0.3076 -0.6172 C.ar 1 UNK -0.0140 13 C9 1.3514 0.5554 1.7820 C.ar 1 UNK -0.0556 14 C10 -2.4472 -3.5662 0.8432 C.3 1 UNK -0.0433 15 C11 -1.8140 -2.6794 -1.2981 C.3 1 UNK -0.0433 16 C12 2.8237 -0.0960 -0.4964 C.ar 1 UNK 0.1204 17 C13 2.6810 0.1520 1.9027 C.ar 1 UNK -0.0580 18 C14 3.4173 -0.1735 0.7636 C.ar 1 UNK -0.0199 19 C15 4.8969 -0.8170 -1.4117 C.3 1 UNK 0.0788 20 H -2.1657 1.6845 1.5773 H 1 UNK 0.2106 21 H1 -3.3494 -2.0239 -0.1331 H 1 UNK 0.2028 22 H2 -1.1467 -0.3073 -1.1463 H 1 UNK 0.0384 23 H3 -3.4877 0.6586 0.5072 H 1 UNK 0.0271 24 H4 -3.5739 -0.3185 -0.9617 H 1 UNK 0.0271 25 H5 -0.3423 2.1504 -1.4341 H 1 UNK 0.0296 26 H6 -0.2650 3.1344 0.0354 H 1 UNK 0.0296 27 H7 -4.0922 2.0529 -1.3621 H 1 UNK 0.0265 28 H8 -2.6918 1.4736 -2.2632 H 1 UNK 0.0265 29 H9 -2.2221 3.6571 -1.3659 H 1 UNK 0.0266 30 H10 -2.6372 3.0939 0.2497 H 1 UNK 0.0266 31 H11 -0.6487 -1.6482 0.8499 H 1 UNK 0.0818 32 H12 -2.1295 -1.0656 1.5911 H 1 UNK 0.0818 33 H13 1.0530 0.3659 -1.5485 H 1 UNK 0.0658 34 H14 0.8051 0.7967 2.6237 H 1 UNK 0.0621 35 H15 -1.4542 -3.9323 1.0007 H 1 UNK 0.0777 36 H16 -3.0302 -4.3167 0.3516 H 1 UNK 0.0777 37 H17 -2.8935 -3.3287 1.7862 H 1 UNK 0.0777 38 H18 -0.8138 -3.0355 -1.1651 H 1 UNK 0.0777 39 H19 -1.8013 -1.7993 -1.9066 H 1 UNK 0.0777 40 H20 -2.4011 -3.4353 -1.7765 H 1 UNK 0.0777 41 H21 3.1201 0.0943 2.8348 H 1 UNK 0.0619 42 H22 4.4012 -0.4717 0.8530 H 1 UNK 0.0654 43 H23 5.3444 -1.0360 -2.3586 H 1 UNK 0.0660 44 H24 4.9228 -1.6906 -0.7945 H 1 UNK 0.0660 45 H25 5.4392 -0.0273 -0.9350 H 1 UNK 0.0660 @BOND 1 1 5 1 2 2 16 1 3 2 19 1 4 3 10 1 5 3 14 1 6 3 15 1 7 4 5 1 8 4 6 1 9 4 10 1 10 5 7 1 11 5 11 1 12 6 8 1 13 7 9 1 14 8 9 1 15 11 12 ar 16 11 13 ar 17 12 16 ar 18 13 17 ar 19 16 18 ar 20 17 18 ar 21 1 20 1 22 3 21 1 23 4 22 1 24 6 23 1 25 6 24 1 26 7 25 1 27 7 26 1 28 8 27 1 29 8 28 1 30 9 29 1 31 9 30 1 32 10 31 1 33 10 32 1 34 12 33 1 35 13 34 1 36 14 35 1 37 14 36 1 38 14 37 1 39 15 38 1 40 15 39 1 41 15 40 1 42 17 41 1 43 18 42 1 44 19 43 1 45 19 44 1 46 19 45 1