@MOLECULE FDBD00554 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.0816 0.8888 0.6352 S.3 1 UNK -0.1310 2 O -0.4258 -3.5840 -0.5264 O.2 1 UNK -0.2731 3 O1 -4.5765 1.4906 0.5980 O.3 1 UNK -0.4603 4 O2 -4.0049 -2.4484 -0.2377 O.co2 1 UNK -0.5433 5 O3 3.4438 -1.3839 1.9481 O.2 1 UNK -0.2692 6 O4 -2.9848 -2.0399 -2.2432 O.co2 1 UNK -0.5433 7 O5 -6.3191 2.1971 -0.7443 O.2 1 UNK -0.2512 8 N -1.0986 -1.4551 0.2322 N.am 1 UNK -0.2533 9 N1 1.9697 -1.4825 0.1612 N.am 1 UNK -0.2968 10 N2 5.5645 -1.4331 0.1785 N.4 1 UNK 0.2307 11 C -0.2813 -0.7808 1.2243 C.3 1 UNK 0.1041 12 C1 0.7873 -1.8579 0.9359 C.3 1 UNK 0.1285 13 C2 -0.3185 -2.5482 0.0873 C.2 1 UNK 0.2438 14 C3 -2.2593 -0.9499 -0.2592 C.2 1 UNK 0.0631 15 C4 -2.5961 0.3498 -0.0819 C.2 1 UNK 0.0004 16 C5 -1.6772 1.3726 0.5825 C.3 1 UNK 0.0219 17 C6 -3.9016 0.9652 -0.5255 C.3 1 UNK 0.1164 18 C7 3.2211 -1.2734 0.7435 C.2 1 UNK 0.2665 19 C8 -3.1023 -1.8610 -1.0477 C.2 1 UNK 0.0860 20 C9 4.2874 -0.8696 -0.2688 C.3 1 UNK 0.0789 21 C10 4.3434 0.6362 -0.4226 C.ar 1 UNK 0.0091 22 C11 3.5492 1.2464 -1.3772 C.ar 1 UNK -0.0528 23 C12 5.1869 1.3668 0.3952 C.ar 1 UNK -0.0528 24 C13 -5.7873 2.0867 0.3521 C.2 1 UNK 0.3043 25 C14 3.6005 2.6331 -1.5189 C.ar 1 UNK -0.0613 26 C15 5.2379 2.7535 0.2535 C.ar 1 UNK -0.0613 27 C16 4.4447 3.3866 -0.7035 C.ar 1 UNK -0.0617 28 C17 -6.3845 2.5944 1.6295 C.3 1 UNK 0.0332 29 H 1.8792 -1.3725 -0.8129 H 1 UNK 0.1497 30 H1 5.4771 -2.4455 0.2670 H 1 UNK 0.2005 31 H2 5.8145 -1.0331 1.0829 H 1 UNK 0.2005 32 H3 6.2907 -1.2128 -0.5031 H 1 UNK 0.2005 33 H4 -0.5605 -0.5791 2.2374 H 1 UNK 0.0644 34 H5 1.3242 -2.3188 1.7385 H 1 UNK 0.0622 35 H6 -1.7546 2.2925 0.0415 H 1 UNK 0.0424 36 H7 -2.0002 1.4564 1.5991 H 1 UNK 0.0424 37 H8 -3.7066 1.7511 -1.2249 H 1 UNK 0.0746 38 H9 -4.5096 0.2180 -0.9913 H 1 UNK 0.0746 39 H10 4.0538 -1.2553 -1.2391 H 1 UNK 0.1002 40 H11 2.9267 0.6826 -1.9769 H 1 UNK 0.0622 41 H12 5.7710 0.8918 1.1011 H 1 UNK 0.0622 42 H13 3.0138 3.1015 -2.2270 H 1 UNK 0.0618 43 H14 5.8625 3.3111 0.8567 H 1 UNK 0.0618 44 H15 4.4825 4.4126 -0.8082 H 1 UNK 0.0618 45 H16 -5.7257 2.3744 2.4434 H 1 UNK 0.0342 46 H17 -7.3283 2.1185 1.7959 H 1 UNK 0.0342 47 H18 -6.5259 3.6528 1.5612 H 1 UNK 0.0342 @BOND 1 1 11 1 2 1 16 1 3 2 13 2 4 3 17 1 5 3 24 1 6 4 19 ar 7 5 18 2 8 6 19 ar 9 7 24 2 10 8 11 1 11 8 13 am 12 8 14 1 13 9 12 1 14 9 18 am 15 10 20 1 16 11 12 1 17 12 13 1 18 14 15 2 19 14 19 1 20 15 16 1 21 15 17 1 22 18 20 1 23 20 21 1 24 21 22 ar 25 21 23 ar 26 22 25 ar 27 23 26 ar 28 24 28 1 29 25 27 ar 30 26 27 ar 31 9 29 1 32 10 30 1 33 10 31 1 34 10 32 1 35 11 33 1 36 12 34 1 37 16 35 1 38 16 36 1 39 17 37 1 40 17 38 1 41 20 39 1 42 22 40 1 43 23 41 1 44 25 42 1 45 26 43 1 46 27 44 1 47 28 45 1 48 28 46 1 49 28 47 1