@MOLECULE FDBD00770 55 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.9506 1.9319 -0.2039 O.3 1 UNK -0.4643 2 O1 -1.9545 1.5324 1.8418 O.2 1 UNK -0.2498 3 N 0.7107 -0.8269 0.3013 N.4 1 UNK 0.2355 4 N1 8.4556 0.4029 0.2346 N.pl3 1 UNK -0.3580 5 C -2.2160 -0.2609 0.2330 C.3 1 UNK 0.1021 6 C1 -1.2935 -0.2293 -1.0125 C.3 1 UNK 0.0075 7 C2 -1.5313 -1.1367 1.3135 C.3 1 UNK 0.0075 8 C3 0.1641 0.1124 -0.6824 C.3 1 UNK -0.0306 9 C4 -0.0583 -0.7792 1.5478 C.3 1 UNK -0.0306 10 C5 -3.6375 -0.7742 -0.0517 C.ar 1 UNK -0.0302 11 C6 2.1215 -0.5379 0.5577 C.3 1 UNK -0.0278 12 C7 -2.3442 1.1609 0.7430 C.2 1 UNK 0.3181 13 C8 2.9425 -0.6313 -0.7289 C.3 1 UNK 0.0127 14 C9 -3.9833 -1.1775 -1.3387 C.ar 1 UNK -0.0575 15 C10 -4.5717 -0.8325 0.9791 C.ar 1 UNK -0.0575 16 C11 4.4034 -0.3573 -0.4745 C.ar 1 UNK -0.0422 17 C12 -5.2727 -1.6428 -1.5967 C.ar 1 UNK -0.0615 18 C13 -5.8611 -1.2979 0.7210 C.ar 1 UNK -0.0615 19 C14 -6.2116 -1.7030 -0.5668 C.ar 1 UNK -0.0617 20 C15 -3.1368 3.3063 0.1490 C.3 1 UNK 0.0897 21 C16 4.8775 0.9426 -0.5620 C.ar 1 UNK -0.0567 22 C17 5.2480 -1.4100 -0.1560 C.ar 1 UNK -0.0567 23 C18 -3.8173 4.0222 -0.9983 C.3 1 UNK -0.0306 24 C19 6.2287 1.1961 -0.3256 C.ar 1 UNK -0.0408 25 C20 6.5992 -1.1566 0.0805 C.ar 1 UNK -0.0408 26 C21 7.0895 0.1466 -0.0043 C.ar 1 UNK 0.0246 27 H 0.6384 -1.7691 -0.0826 H 1 UNK 0.2033 28 H1 8.8017 1.3226 0.1748 H 1 UNK 0.1423 29 H2 9.0631 -0.3379 0.4612 H 1 UNK 0.1423 30 H3 -1.6683 0.5060 -1.6935 H 1 UNK 0.0331 31 H4 -1.2995 -1.2124 -1.4349 H 1 UNK 0.0331 32 H5 -1.5866 -2.1598 1.0051 H 1 UNK 0.0331 33 H6 -2.0478 -0.9618 2.2341 H 1 UNK 0.0331 34 H7 0.7476 0.0611 -1.5779 H 1 UNK 0.0815 35 H8 0.1994 1.0991 -0.2699 H 1 UNK 0.0815 36 H9 -0.0007 0.2089 1.9543 H 1 UNK 0.0815 37 H10 0.3571 -1.4949 2.2261 H 1 UNK 0.0815 38 H11 2.5002 -1.2443 1.2665 H 1 UNK 0.0818 39 H12 2.2013 0.4577 0.9415 H 1 UNK 0.0818 40 H13 2.5715 0.0861 -1.4308 H 1 UNK 0.0365 41 H14 2.8499 -1.6252 -1.1144 H 1 UNK 0.0365 42 H15 -3.2876 -1.1323 -2.0996 H 1 UNK 0.0621 43 H16 -4.3109 -0.5322 1.9314 H 1 UNK 0.0621 44 H17 -5.5321 -1.9425 -2.5495 H 1 UNK 0.0618 45 H18 -6.5557 -1.3425 1.4829 H 1 UNK 0.0618 46 H19 -7.1656 -2.0473 -0.7577 H 1 UNK 0.0618 47 H20 -2.1866 3.7592 0.3413 H 1 UNK 0.0694 48 H21 -3.7429 3.3748 1.0281 H 1 UNK 0.0694 49 H22 4.2366 1.7157 -0.7999 H 1 UNK 0.0621 50 H23 4.8802 -2.3723 -0.0945 H 1 UNK 0.0621 51 H24 -3.2078 3.9511 -1.8748 H 1 UNK 0.0262 52 H25 -3.9569 5.0520 -0.7435 H 1 UNK 0.0262 53 H26 -4.7682 3.5695 -1.1874 H 1 UNK 0.0262 54 H27 6.5915 2.1602 -0.3884 H 1 UNK 0.0636 55 H28 7.2360 -1.9331 0.3182 H 1 UNK 0.0636 @BOND 1 1 12 1 2 1 20 1 3 2 12 2 4 3 8 1 5 3 9 1 6 3 11 1 7 4 26 1 8 5 6 1 9 5 7 1 10 5 10 1 11 5 12 1 12 6 8 1 13 7 9 1 14 10 14 ar 15 10 15 ar 16 11 13 1 17 13 16 1 18 14 17 ar 19 15 18 ar 20 16 21 ar 21 16 22 ar 22 17 19 ar 23 18 19 ar 24 20 23 1 25 21 24 ar 26 22 25 ar 27 24 26 ar 28 25 26 ar 29 3 27 1 30 4 28 1 31 4 29 1 32 6 30 1 33 6 31 1 34 7 32 1 35 7 33 1 36 8 34 1 37 8 35 1 38 9 36 1 39 9 37 1 40 11 38 1 41 11 39 1 42 13 40 1 43 13 41 1 44 14 42 1 45 15 43 1 46 17 44 1 47 18 45 1 48 19 46 1 49 20 47 1 50 20 48 1 51 21 49 1 52 22 50 1 53 23 51 1 54 23 52 1 55 23 53 1 56 24 54 1 57 25 55 1