@MOLECULE FDBD00255 46 47 0 0 0 SMALL GASTEIGER @ATOM 1 S 2.3968 -3.2134 1.1062 S.2 1 UNK 0.1206 2 O 2.8696 3.1675 -0.2779 O.3 1 UNK -0.3767 3 O1 0.1281 -0.9516 -0.7046 O.3 1 UNK -0.4708 4 O2 -1.3188 -0.3672 -3.0059 O.3 1 UNK -0.3831 5 N -3.2498 -0.4206 0.1491 N.4 1 UNK 0.2327 6 N1 2.4798 0.4523 0.3509 N.pl3 1 UNK -0.3060 7 N2 3.1177 -1.7007 1.1925 N.ar 1 UNK -0.1717 8 N3 1.0183 -2.8404 0.2253 N.ar 1 UNK -0.1530 9 C -3.8556 0.6584 0.9363 C.3 1 UNK -0.0203 10 C1 -2.6027 0.1139 -1.0369 C.3 1 UNK -0.0033 11 C2 -1.9613 -0.9853 -1.8873 C.3 1 UNK 0.1285 12 C3 1.4365 1.4395 0.6520 C.3 1 UNK 0.0372 13 C4 3.8344 1.0161 0.2727 C.3 1 UNK 0.0372 14 C5 -4.9060 1.3814 0.0851 C.3 1 UNK -0.0193 15 C6 -2.7523 1.6364 1.3541 C.3 1 UNK -0.0193 16 C7 -4.5139 0.0470 2.1778 C.3 1 UNK -0.0193 17 C8 1.5536 2.6148 -0.3138 C.3 1 UNK 0.0634 18 C9 3.8374 2.1996 -0.6864 C.3 1 UNK 0.0634 19 C10 -0.9259 -1.8112 -1.1272 C.3 1 UNK 0.1221 20 C11 2.2804 -0.8985 0.5312 C.ar 1 UNK 0.1942 21 C12 1.1337 -1.5381 0.0067 C.ar 1 UNK 0.2652 22 H -1.9657 0.1616 -3.4987 H 1 UNK 0.2102 23 H1 -3.9764 -1.0785 -0.1330 H 1 UNK 0.2020 24 H2 -2.5498 -0.8926 0.7215 H 1 UNK 0.2020 25 H3 -1.8428 0.8036 -0.7342 H 1 UNK 0.0841 26 H4 -3.3503 0.5964 -1.6312 H 1 UNK 0.0841 27 H5 -2.7402 -1.6555 -2.1857 H 1 UNK 0.0681 28 H6 1.5561 1.7897 1.6560 H 1 UNK 0.0487 29 H7 0.4739 0.9847 0.5449 H 1 UNK 0.0487 30 H8 4.5122 0.2679 -0.0819 H 1 UNK 0.0487 31 H9 4.1410 1.3436 1.2441 H 1 UNK 0.0487 32 H10 -4.4360 1.8041 -0.7782 H 1 UNK 0.0287 33 H11 -5.3582 2.1605 0.6625 H 1 UNK 0.0287 34 H12 -5.6569 0.6841 -0.2230 H 1 UNK 0.0287 35 H13 -2.2994 2.0574 0.4809 H 1 UNK 0.0287 36 H14 -2.0115 1.1159 1.9244 H 1 UNK 0.0287 37 H15 -3.1756 2.4188 1.9488 H 1 UNK 0.0287 38 H16 -5.2821 -0.6337 1.8755 H 1 UNK 0.0287 39 H17 -4.9417 0.8253 2.7745 H 1 UNK 0.0287 40 H18 -3.7776 -0.4775 2.7502 H 1 UNK 0.0287 41 H19 1.3416 2.2763 -1.3065 H 1 UNK 0.0575 42 H20 0.8546 3.3708 -0.0225 H 1 UNK 0.0575 43 H21 4.8081 2.6497 -0.6894 H 1 UNK 0.0575 44 H22 3.5923 1.8537 -1.6688 H 1 UNK 0.0575 45 H23 -1.3843 -2.2645 -0.2732 H 1 UNK 0.0725 46 H24 -0.5359 -2.5785 -1.7628 H 1 UNK 0.0725 @BOND 1 1 7 ar 2 1 8 ar 3 2 17 1 4 2 18 1 5 3 19 1 6 3 21 1 7 4 11 1 8 5 9 1 9 5 10 1 10 6 12 1 11 6 13 1 12 6 20 1 13 7 20 ar 14 8 21 ar 15 9 14 1 16 9 15 1 17 9 16 1 18 10 11 1 19 11 19 1 20 12 17 1 21 13 18 1 22 20 21 ar 23 4 22 1 24 5 23 1 25 5 24 1 26 10 25 1 27 10 26 1 28 11 27 1 29 12 28 1 30 12 29 1 31 13 30 1 32 13 31 1 33 14 32 1 34 14 33 1 35 14 34 1 36 15 35 1 37 15 36 1 38 15 37 1 39 16 38 1 40 16 39 1 41 16 40 1 42 17 41 1 43 17 42 1 44 18 43 1 45 18 44 1 46 19 45 1 47 19 46 1