@MOLECULE FDBD00654 41 42 0 0 0 SMALL GASTEIGER @ATOM 1 N 0.2815 0.1855 0.5368 N.pl3 1 UNK -0.3058 2 N1 3.3499 2.2144 0.0257 N.4 1 UNK 0.2320 3 N2 0.2748 -2.1329 1.0855 N.ar 1 UNK -0.2403 4 C 1.0837 1.2790 0.0427 C.3 1 UNK 0.0539 5 C1 2.5156 1.1288 0.5401 C.3 1 UNK -0.0163 6 C2 -0.8485 0.4878 1.4171 C.3 1 UNK 0.0387 7 C3 0.5722 -1.1444 0.2016 C.ar 1 UNK 0.1217 8 C4 -2.1097 0.6584 0.6164 C.ar 1 UNK -0.0301 9 C5 3.3314 2.2243 -1.4366 C.3 1 UNK -0.0433 10 C6 4.7205 2.0834 0.5187 C.3 1 UNK -0.0433 11 C7 -2.4550 1.9168 0.1410 C.ar 1 UNK -0.0571 12 C8 -2.9144 -0.4448 0.3619 C.ar 1 UNK -0.0571 13 C9 1.1593 -1.3875 -1.0373 C.ar 1 UNK -0.0217 14 C10 -3.6252 2.0749 -0.6016 C.ar 1 UNK -0.0615 15 C11 -4.0845 -0.2868 -0.3808 C.ar 1 UNK -0.0615 16 C12 1.4537 -2.7013 -1.3844 C.ar 1 UNK -0.0571 17 C13 -4.4399 0.9731 -0.8627 C.ar 1 UNK -0.0617 18 C14 0.5754 -3.3974 0.7136 C.ar 1 UNK 0.0297 19 C15 1.1592 -3.7313 -0.4978 C.ar 1 UNK -0.0435 20 H 2.9698 3.1001 0.3596 H 1 UNK 0.2028 21 H1 0.6796 2.2048 0.3956 H 1 UNK 0.0517 22 H2 1.0767 1.2693 -1.0272 H 1 UNK 0.0517 23 H3 2.5220 1.1556 1.6097 H 1 UNK 0.0830 24 H4 2.9076 0.1954 0.1936 H 1 UNK 0.0830 25 H5 -0.6460 1.3922 1.9519 H 1 UNK 0.0513 26 H6 -0.9805 -0.3241 2.1015 H 1 UNK 0.0513 27 H7 3.7275 1.3009 -1.8046 H 1 UNK 0.0777 28 H8 3.9283 3.0366 -1.7954 H 1 UNK 0.0777 29 H9 2.3248 2.3426 -1.7798 H 1 UNK 0.0777 30 H10 5.1355 1.1582 0.1772 H 1 UNK 0.0777 31 H11 4.7178 2.0998 1.5886 H 1 UNK 0.0777 32 H12 5.3110 2.8964 0.1510 H 1 UNK 0.0777 33 H13 -1.8498 2.7297 0.3359 H 1 UNK 0.0621 34 H14 -2.6483 -1.3754 0.7200 H 1 UNK 0.0621 35 H15 1.3710 -0.6107 -1.6829 H 1 UNK 0.0652 36 H16 -3.8882 3.0071 -0.9579 H 1 UNK 0.0618 37 H17 -4.6872 -1.1020 -0.5738 H 1 UNK 0.0618 38 H18 1.8890 -2.9112 -2.2963 H 1 UNK 0.0619 39 H19 -5.3055 1.0901 -1.4123 H 1 UNK 0.0618 40 H20 0.3566 -4.1609 1.3725 H 1 UNK 0.0830 41 H21 1.3689 -4.7136 -0.7347 H 1 UNK 0.0633 @BOND 1 1 4 1 2 1 6 1 3 1 7 1 4 2 5 1 5 2 9 1 6 2 10 1 7 3 7 ar 8 3 18 ar 9 4 5 1 10 6 8 1 11 7 13 ar 12 8 11 ar 13 8 12 ar 14 11 14 ar 15 12 15 ar 16 13 16 ar 17 14 17 ar 18 15 17 ar 19 16 19 ar 20 18 19 ar 21 2 20 1 22 4 21 1 23 4 22 1 24 5 23 1 25 5 24 1 26 6 25 1 27 6 26 1 28 9 27 1 29 9 28 1 30 9 29 1 31 10 30 1 32 10 31 1 33 10 32 1 34 11 33 1 35 12 34 1 36 13 35 1 37 14 36 1 38 15 37 1 39 16 38 1 40 17 39 1 41 18 40 1 42 19 41 1