@MOLECULE FDBD00122 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.5835 -0.1581 -0.8461 O.3 1 UNK -0.3620 2 O1 -0.0777 -0.7826 -0.1235 O.3 1 UNK -0.4778 3 O2 -2.3171 0.3732 -1.2965 O.3 1 UNK -0.4886 4 N 3.7124 -2.5871 0.1124 N.4 1 UNK 0.2305 5 C 2.2566 -0.6388 0.4634 C.3 1 UNK 0.1391 6 C1 0.8413 -0.1807 0.7870 C.3 1 UNK 0.1563 7 C2 2.3628 -2.1658 0.4960 C.3 1 UNK -0.0028 8 C3 4.0520 -2.0529 -1.2072 C.3 1 UNK -0.0096 9 C4 3.9112 -0.5359 -1.2140 C.3 1 UNK 0.0882 10 C5 0.6988 1.3218 0.7142 C.ar 1 UNK -0.0046 11 C6 0.9300 2.0805 1.8500 C.ar 1 UNK -0.0550 12 C7 0.3404 1.9116 -0.4870 C.ar 1 UNK -0.0550 13 C8 -1.3304 -1.0495 0.3571 C.ar 1 UNK 0.1629 14 C9 0.7988 3.4676 1.7828 C.ar 1 UNK -0.0614 15 C10 0.2092 3.2986 -0.5540 C.ar 1 UNK -0.0614 16 C11 -2.4488 -0.4678 -0.2331 C.ar 1 UNK 0.1619 17 C12 0.4385 4.0766 0.5809 C.ar 1 UNK -0.0617 18 C13 -1.4732 -1.9088 1.4430 C.ar 1 UNK -0.0163 19 C14 -3.7206 -0.7479 0.2667 C.ar 1 UNK -0.0163 20 C15 -2.7450 -2.1888 1.9426 C.ar 1 UNK -0.0581 21 C16 -3.8687 -1.6084 1.3546 C.ar 1 UNK -0.0581 22 C17 -2.9664 -0.0072 -2.5082 C.3 1 UNK 0.0870 23 C18 -2.1879 0.5501 -3.6808 C.3 1 UNK -0.0307 24 H 3.7521 -3.6059 0.0840 H 1 UNK 0.2015 25 H1 4.3795 -2.2319 0.7973 H 1 UNK 0.2015 26 H2 2.9355 -0.2511 1.1939 H 1 UNK 0.0691 27 H3 0.6277 -0.4840 1.7906 H 1 UNK 0.0813 28 H4 2.1517 -2.5138 1.4856 H 1 UNK 0.0841 29 H5 1.6582 -2.5797 -0.1947 H 1 UNK 0.0841 30 H6 3.3928 -2.4721 -1.9384 H 1 UNK 0.0836 31 H7 5.0648 -2.3101 -1.4375 H 1 UNK 0.0836 32 H8 4.6041 -0.1142 -0.5161 H 1 UNK 0.0613 33 H9 4.1154 -0.1724 -2.1995 H 1 UNK 0.0613 34 H10 1.1965 1.6243 2.7365 H 1 UNK 0.0621 35 H11 0.1723 1.3309 -1.3234 H 1 UNK 0.0621 36 H12 0.9683 4.0432 2.6224 H 1 UNK 0.0618 37 H13 -0.0575 3.7493 -1.4432 H 1 UNK 0.0618 38 H14 0.3415 5.1028 0.5312 H 1 UNK 0.0618 39 H15 -0.6407 -2.3373 1.8770 H 1 UNK 0.0655 40 H16 -4.5520 -0.3185 -0.1684 H 1 UNK 0.0655 41 H17 -2.8546 -2.8255 2.7474 H 1 UNK 0.0619 42 H18 -4.8097 -1.8155 1.7243 H 1 UNK 0.0619 43 H19 -3.9620 0.3846 -2.5199 H 1 UNK 0.0694 44 H20 -3.0080 -1.0742 -2.5764 H 1 UNK 0.0694 45 H21 -2.1490 1.6169 -3.6084 H 1 UNK 0.0262 46 H22 -2.6710 0.2720 -4.5941 H 1 UNK 0.0262 47 H23 -1.1935 0.1553 -3.6687 H 1 UNK 0.0262 @BOND 1 1 5 1 2 1 9 1 3 2 6 1 4 2 13 1 5 3 16 1 6 3 22 1 7 4 7 1 8 4 8 1 9 5 6 1 10 5 7 1 11 6 10 1 12 8 9 1 13 10 11 ar 14 10 12 ar 15 11 14 ar 16 12 15 ar 17 13 16 ar 18 13 18 ar 19 14 17 ar 20 15 17 ar 21 16 19 ar 22 18 20 ar 23 19 21 ar 24 20 21 ar 25 22 23 1 26 4 24 1 27 4 25 1 28 5 26 1 29 6 27 1 30 7 28 1 31 7 29 1 32 8 30 1 33 8 31 1 34 9 32 1 35 9 33 1 36 11 34 1 37 12 35 1 38 14 36 1 39 15 37 1 40 17 38 1 41 18 39 1 42 19 40 1 43 20 41 1 44 21 42 1 45 22 43 1 46 22 44 1 47 23 45 1 48 23 46 1 49 23 47 1