@MOLECULE FDBD00092 57 58 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.7787 -2.9475 -0.6362 S.O2 1 UNK 0.0403 2 S1 5.3516 0.3437 0.5875 S.O2 1 UNK 0.0403 3 O -1.0080 1.7306 -0.3653 O.3 1 UNK -0.4867 4 O1 1.6158 -4.0731 -1.0075 O.2 1 UNK -0.1555 5 O2 0.5537 -1.8583 -1.5658 O.2 1 UNK -0.1555 6 O3 6.7661 0.6531 0.6826 O.2 1 UNK -0.1555 7 O4 4.5908 0.0022 1.7730 O.2 1 UNK -0.1555 8 N -3.8293 1.9743 -0.3593 N.4 1 UNK 0.2357 9 N1 -0.7133 -3.5559 -0.0278 N.pl3 1 UNK -0.2209 10 N2 4.5779 1.6008 -0.2998 N.pl3 1 UNK -0.2209 11 C -4.4984 1.5804 0.8800 C.3 1 UNK -0.0280 12 C1 -5.0071 0.1408 0.7941 C.3 1 UNK 0.0127 13 C2 -2.9441 3.1141 -0.1222 C.3 1 UNK 0.0028 14 C3 -3.8768 -0.8335 0.5774 C.ar 1 UNK -0.0422 15 C4 -1.6384 2.6576 0.5089 C.3 1 UNK 0.1291 16 C5 -4.8138 2.2978 -1.3912 C.3 1 UNK -0.0430 17 C6 -3.2257 -1.4009 1.6728 C.ar 1 UNK -0.0566 18 C7 -3.4815 -1.1666 -0.7181 C.ar 1 UNK -0.0566 19 C8 -1.7842 -2.6343 0.1771 C.ar 1 UNK 0.0477 20 C9 -2.1794 -2.3013 1.4727 C.ar 1 UNK -0.0391 21 C10 -2.4352 -2.0669 -0.9184 C.ar 1 UNK -0.0391 22 C11 0.3620 1.6998 -0.3495 C.ar 1 UNK 0.1209 23 C12 3.1507 1.6345 -0.3169 C.ar 1 UNK 0.0479 24 C13 1.0650 1.3513 -1.5028 C.ar 1 UNK -0.0182 25 C14 1.0534 2.0157 0.8201 C.ar 1 UNK -0.0182 26 C15 2.4593 1.3186 -1.4865 C.ar 1 UNK -0.0359 27 C16 2.4477 1.9829 0.8364 C.ar 1 UNK -0.0359 28 C17 1.4684 -2.2605 0.8527 C.3 1 UNK 0.0736 29 C18 5.1939 -0.9995 -0.5680 C.3 1 UNK 0.0736 30 H -3.2653 1.1895 -0.6855 H 1 UNK 0.2032 31 H1 -0.8246 -4.5132 0.1732 H 1 UNK 0.1733 32 H2 5.1055 2.2778 -0.7821 H 1 UNK 0.1733 33 H3 -5.3271 2.2346 1.0535 H 1 UNK 0.0817 34 H4 -3.7946 1.6460 1.6833 H 1 UNK 0.0817 35 H5 -5.6942 0.0631 -0.0224 H 1 UNK 0.0365 36 H6 -5.4860 -0.1015 1.7198 H 1 UNK 0.0365 37 H7 -3.4293 3.8050 0.5351 H 1 UNK 0.0848 38 H8 -2.7280 3.5830 -1.0594 H 1 UNK 0.0848 39 H9 -0.9981 3.5012 0.6613 H 1 UNK 0.0751 40 H10 -1.8331 2.1932 1.4530 H 1 UNK 0.0751 41 H11 -5.4152 3.1205 -1.0650 H 1 UNK 0.0778 42 H12 -5.4385 1.4471 -1.5674 H 1 UNK 0.0778 43 H13 -4.3081 2.5625 -2.2962 H 1 UNK 0.0778 44 H14 -3.5182 -1.1545 2.6313 H 1 UNK 0.0621 45 H15 -3.9632 -0.7469 -1.5285 H 1 UNK 0.0621 46 H16 -1.6977 -2.7211 2.2831 H 1 UNK 0.0636 47 H17 -2.1427 -2.3132 -1.8769 H 1 UNK 0.0636 48 H18 0.5535 1.1177 -2.3681 H 1 UNK 0.0655 49 H19 0.5333 2.2737 1.6733 H 1 UNK 0.0655 50 H20 2.9794 1.0607 -2.3397 H 1 UNK 0.0638 51 H21 2.9592 2.2164 1.7017 H 1 UNK 0.0638 52 H22 2.4244 -1.8306 0.6377 H 1 UNK 0.0482 53 H23 1.5814 -3.0340 1.5834 H 1 UNK 0.0482 54 H24 0.8143 -1.5037 1.2326 H 1 UNK 0.0482 55 H25 5.6388 -1.8802 -0.1540 H 1 UNK 0.0482 56 H26 5.6902 -0.7447 -1.4810 H 1 UNK 0.0482 57 H27 4.1579 -1.1816 -0.7640 H 1 UNK 0.0482 @BOND 1 1 4 2 2 1 5 2 3 1 9 1 4 1 28 1 5 2 6 2 6 2 7 2 7 2 10 1 8 2 29 1 9 3 15 1 10 3 22 1 11 8 11 1 12 8 13 1 13 8 16 1 14 9 19 1 15 10 23 1 16 11 12 1 17 12 14 1 18 13 15 1 19 14 17 ar 20 14 18 ar 21 17 20 ar 22 18 21 ar 23 19 20 ar 24 19 21 ar 25 22 24 ar 26 22 25 ar 27 23 26 ar 28 23 27 ar 29 24 26 ar 30 25 27 ar 31 8 30 1 32 9 31 1 33 10 32 1 34 11 33 1 35 11 34 1 36 12 35 1 37 12 36 1 38 13 37 1 39 13 38 1 40 15 39 1 41 15 40 1 42 16 41 1 43 16 42 1 44 16 43 1 45 17 44 1 46 18 45 1 47 20 46 1 48 21 47 1 49 24 48 1 50 25 49 1 51 26 50 1 52 27 51 1 53 28 52 1 54 28 53 1 55 28 54 1 56 29 55 1 57 29 56 1 58 29 57 1