@MOLECULE FDBD00329 40 41 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.9234 -1.2579 0.3732 O.3 1 UNK -0.4643 2 O1 -1.0897 -2.0615 -1.6257 O.2 1 UNK -0.2498 3 N 3.1581 -0.9256 0.2214 N.4 1 UNK 0.2331 4 C 0.2344 -0.5659 -0.2567 C.3 1 UNK 0.1021 5 C1 1.2868 -0.7726 -1.3787 C.3 1 UNK 0.0075 6 C2 0.8300 -1.2027 1.0278 C.3 1 UNK 0.0075 7 C3 2.6725 -0.2512 -0.9873 C.3 1 UNK -0.0308 8 C4 2.2470 -0.7106 1.3510 C.3 1 UNK -0.0308 9 C5 -0.2153 0.8976 -0.1372 C.ar 1 UNK -0.0302 10 C6 -0.9863 -1.3896 -0.6084 C.2 1 UNK 0.3181 11 C7 4.5081 -0.4735 0.5560 C.3 1 UNK -0.0431 12 C8 -0.7881 1.5378 -1.2331 C.ar 1 UNK -0.0575 13 C9 -0.0479 1.5775 1.0663 C.ar 1 UNK -0.0575 14 C10 -1.1962 2.8672 -1.1248 C.ar 1 UNK -0.0615 15 C11 -0.4561 2.9068 1.1747 C.ar 1 UNK -0.0615 16 C12 -1.0303 3.5517 0.0791 C.ar 1 UNK -0.0617 17 C13 -3.1368 -1.9883 0.1671 C.3 1 UNK 0.0897 18 C14 -4.0667 -1.7393 1.3353 C.3 1 UNK -0.0306 19 H 3.1898 -1.9270 0.0303 H 1 UNK 0.2030 20 H1 0.9600 -0.2534 -2.2554 H 1 UNK 0.0331 21 H2 1.3730 -1.8247 -1.5533 H 1 UNK 0.0331 22 H3 0.8611 -2.2642 0.8971 H 1 UNK 0.0331 23 H4 0.2014 -0.9141 1.8442 H 1 UNK 0.0331 24 H5 3.3561 -0.4338 -1.7900 H 1 UNK 0.0815 25 H6 2.6022 0.7983 -0.7909 H 1 UNK 0.0815 26 H7 2.2100 0.3352 1.5745 H 1 UNK 0.0815 27 H8 2.6132 -1.2649 2.1897 H 1 UNK 0.0815 28 H9 4.4923 0.5768 0.7596 H 1 UNK 0.0777 29 H10 5.1635 -0.6673 -0.2673 H 1 UNK 0.0777 30 H11 4.8563 -0.9992 1.4205 H 1 UNK 0.0777 31 H12 -0.9104 1.0300 -2.1232 H 1 UNK 0.0621 32 H13 0.3771 1.0991 1.8760 H 1 UNK 0.0621 33 H14 -1.6209 3.3443 -1.9354 H 1 UNK 0.0618 34 H15 -0.3333 3.4133 2.0655 H 1 UNK 0.0618 35 H16 -1.3323 4.5352 0.1593 H 1 UNK 0.0618 36 H17 -2.9190 -3.0336 0.0985 H 1 UNK 0.0694 37 H18 -3.6027 -1.6663 -0.7407 H 1 UNK 0.0694 38 H19 -3.5967 -2.0628 2.2405 H 1 UNK 0.0262 39 H20 -4.9755 -2.2852 1.1904 H 1 UNK 0.0262 40 H21 -4.2852 -0.6939 1.4007 H 1 UNK 0.0262 @BOND 1 1 10 1 2 1 17 1 3 2 10 2 4 3 7 1 5 3 8 1 6 3 11 1 7 4 5 1 8 4 6 1 9 4 9 1 10 4 10 1 11 5 7 1 12 6 8 1 13 9 12 ar 14 9 13 ar 15 12 14 ar 16 13 15 ar 17 14 16 ar 18 15 16 ar 19 17 18 1 20 3 19 1 21 5 20 1 22 5 21 1 23 6 22 1 24 6 23 1 25 7 24 1 26 7 25 1 27 8 26 1 28 8 27 1 29 11 28 1 30 11 29 1 31 11 30 1 32 12 31 1 33 13 32 1 34 14 33 1 35 15 34 1 36 16 35 1 37 17 36 1 38 17 37 1 39 18 38 1 40 18 39 1 41 18 40 1