@MOLECULE FDBD00394 39 41 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.4763 -3.4228 1.2925 S.2 1 UNK 0.0067 2 O -0.7762 -1.4178 1.3389 O.3 1 UNK -0.4350 3 N -2.4291 -1.2537 -0.4240 N.am 1 UNK -0.2682 4 C 2.4469 0.1672 0.5702 C.ar 1 UNK -0.0144 5 C1 2.8700 -0.6266 -0.5224 C.ar 1 UNK -0.0177 6 C2 -2.3539 0.1882 -0.4963 C.ar 1 UNK 0.0369 7 C3 0.4138 -1.1594 0.7311 C.ar 1 UNK 0.1313 8 C4 1.2161 -0.1125 1.1861 C.ar 1 UNK -0.0115 9 C5 -2.3567 0.8967 0.6766 C.ar 1 UNK -0.0373 10 C6 -2.2839 2.2879 0.6061 C.ar 1 UNK -0.0487 11 C7 2.0499 -1.6766 -0.9669 C.ar 1 UNK -0.0506 12 C8 0.8301 -1.9401 -0.3432 C.ar 1 UNK -0.0187 13 C9 3.2672 1.2169 1.0148 C.ar 1 UNK -0.0539 14 C10 -2.2830 0.7702 -1.7349 C.ar 1 UNK -0.0402 15 C11 4.1008 -0.3472 -1.1383 C.ar 1 UNK -0.0540 16 C12 -1.9067 -1.9780 0.6608 C.2 1 UNK 0.2402 17 C13 -2.2105 2.9202 -0.6351 C.ar 1 UNK -0.0587 18 C14 -2.2099 2.1614 -1.8055 C.ar 1 UNK -0.0598 19 C15 -3.0138 -1.9531 -1.5751 C.3 1 UNK 0.0090 20 C16 4.4870 1.4804 0.3908 C.ar 1 UNK -0.0612 21 C17 4.9029 0.6998 -0.6837 C.ar 1 UNK -0.0612 22 C18 -2.2848 3.0989 1.8575 C.3 1 UNK -0.0397 23 H 0.9018 0.4623 1.9835 H 1 UNK 0.0660 24 H1 -2.4112 0.4142 1.5872 H 1 UNK 0.0639 25 H2 2.3527 -2.2592 -1.7631 H 1 UNK 0.0625 26 H3 0.2361 -2.7144 -0.6787 H 1 UNK 0.0654 27 H4 2.9646 1.7993 1.8112 H 1 UNK 0.0624 28 H5 -2.2837 0.1951 -2.5918 H 1 UNK 0.0636 29 H6 4.4152 -0.9223 -1.9354 H 1 UNK 0.0624 30 H7 -2.1566 3.9495 -0.6874 H 1 UNK 0.0620 31 H8 -2.1554 2.6293 -2.7237 H 1 UNK 0.0618 32 H9 -3.3544 -1.2362 -2.2926 H 1 UNK 0.0433 33 H10 -3.8393 -2.5502 -1.2480 H 1 UNK 0.0433 34 H11 -2.2738 -2.5826 -2.0235 H 1 UNK 0.0433 35 H12 5.0812 2.2546 0.7262 H 1 UNK 0.0618 36 H13 5.8053 0.8956 -1.1445 H 1 UNK 0.0618 37 H14 -2.3460 2.4478 2.7044 H 1 UNK 0.0278 38 H15 -3.1266 3.7594 1.8539 H 1 UNK 0.0278 39 H16 -1.3825 3.6714 1.9122 H 1 UNK 0.0278 @BOND 1 1 16 2 2 2 7 1 3 2 16 1 4 3 6 1 5 3 16 1 6 3 19 1 7 4 5 ar 8 4 8 ar 9 4 13 ar 10 5 11 ar 11 5 15 ar 12 6 9 ar 13 6 14 ar 14 7 8 ar 15 7 12 ar 16 9 10 ar 17 10 17 ar 18 10 22 1 19 11 12 ar 20 13 20 ar 21 14 18 ar 22 15 21 ar 23 17 18 ar 24 20 21 ar 25 8 23 1 26 9 24 1 27 11 25 1 28 12 26 1 29 13 27 1 30 14 28 1 31 15 29 1 32 17 30 1 33 18 31 1 34 19 32 1 35 19 33 1 36 19 34 1 37 20 35 1 38 21 36 1 39 22 37 1 40 22 38 1 41 22 39 1