@MOLECULE FDBD00228 42 44 0 0 0 SMALL GASTEIGER @ATOM 1 N 4.6930 -1.5511 0.0999 N.4 1 UNK 0.2248 2 C -0.1033 -0.3919 0.7081 C.3 1 UNK 0.0105 3 C1 0.9083 -1.2778 -0.0324 C.3 1 UNK -0.0373 4 C2 0.1512 1.0911 0.4848 C.ar 1 UNK -0.0328 5 C3 -1.5424 -0.8081 0.4439 C.ar 1 UNK -0.0328 6 C4 2.3332 -0.9641 0.4070 C.3 1 UNK -0.0117 7 C5 -0.1203 1.7450 -0.7330 C.ar 1 UNK -0.0213 8 C6 -2.1969 -0.5834 -0.7831 C.ar 1 UNK -0.0213 9 C7 3.3310 -1.8715 -0.3106 C.3 1 UNK -0.0339 10 C8 0.7070 1.8360 1.5446 C.ar 1 UNK -0.0574 11 C9 -2.2415 -1.4700 1.4733 C.ar 1 UNK -0.0574 12 C10 -0.6748 1.0724 -1.9160 C.2 1 UNK -0.0537 13 C11 -1.5668 0.0720 -1.9377 C.2 1 UNK -0.0537 14 C12 0.1907 3.1108 -0.8644 C.ar 1 UNK -0.0543 15 C13 -3.5155 -1.0438 -0.9538 C.ar 1 UNK -0.0543 16 C14 0.9950 3.1927 1.4032 C.ar 1 UNK -0.0614 17 C15 -3.5534 -1.9064 1.2934 C.ar 1 UNK -0.0614 18 C16 0.7386 3.8302 0.1967 C.ar 1 UNK -0.0612 19 C17 -4.1900 -1.6953 0.0779 C.ar 1 UNK -0.0612 20 C18 5.6570 -2.3869 -0.6018 C.3 1 UNK -0.0449 21 H 4.7846 -1.7064 1.1038 H 1 UNK 0.2011 22 H1 4.8811 -0.5748 -0.1280 H 1 UNK 0.2011 23 H2 0.0527 -0.5537 1.7542 H 1 UNK 0.0398 24 H3 0.8205 -1.1048 -1.0847 H 1 UNK 0.0276 25 H4 0.6980 -2.3013 0.1980 H 1 UNK 0.0276 26 H5 2.4167 -1.1158 1.4629 H 1 UNK 0.0317 27 H6 2.5536 0.0534 0.1598 H 1 UNK 0.0317 28 H7 3.1195 -2.8915 -0.0662 H 1 UNK 0.0814 29 H8 3.2413 -1.7211 -1.3662 H 1 UNK 0.0814 30 H9 0.9046 1.3679 2.4428 H 1 UNK 0.0621 31 H10 -1.7731 -1.6349 2.3780 H 1 UNK 0.0621 32 H11 -0.3400 1.4078 -2.8328 H 1 UNK 0.0624 33 H12 -1.8417 -0.2769 -2.8692 H 1 UNK 0.0624 34 H13 0.0102 3.5882 -1.7614 H 1 UNK 0.0624 35 H14 -3.9913 -0.8968 -1.8577 H 1 UNK 0.0624 36 H15 1.3975 3.7215 2.1928 H 1 UNK 0.0618 37 H16 -4.0497 -2.3848 2.0614 H 1 UNK 0.0618 38 H17 0.9530 4.8336 0.0857 H 1 UNK 0.0618 39 H18 -5.1597 -2.0197 -0.0616 H 1 UNK 0.0618 40 H19 5.4715 -3.4153 -0.3718 H 1 UNK 0.0777 41 H20 6.6475 -2.1253 -0.2928 H 1 UNK 0.0777 42 H21 5.5604 -2.2342 -1.6564 H 1 UNK 0.0777 @BOND 1 1 9 1 2 1 20 1 3 2 3 1 4 2 4 1 5 2 5 1 6 3 6 1 7 4 7 ar 8 4 10 ar 9 5 8 ar 10 5 11 ar 11 6 9 1 12 7 12 1 13 7 14 ar 14 8 13 1 15 8 15 ar 16 10 16 ar 17 11 17 ar 18 12 13 2 19 14 18 ar 20 15 19 ar 21 16 18 ar 22 17 19 ar 23 1 21 1 24 1 22 1 25 2 23 1 26 3 24 1 27 3 25 1 28 6 26 1 29 6 27 1 30 9 28 1 31 9 29 1 32 10 30 1 33 11 31 1 34 12 32 1 35 13 33 1 36 14 34 1 37 15 35 1 38 16 36 1 39 17 37 1 40 18 38 1 41 19 39 1 42 20 40 1 43 20 41 1 44 20 42 1