@MOLECULE FDBD00011 51 53 0 0 0 SMALL GASTEIGER @ATOM 1 S 2.5774 0.5195 -1.7560 S.3 1 UNK -0.2086 2 O -0.3822 0.9094 -0.8817 O.3 1 UNK -0.3109 3 O1 0.6585 2.8305 1.9707 O.3 1 UNK -0.3863 4 O2 -1.6045 3.4810 0.5968 O.3 1 UNK -0.3803 5 O3 6.8896 0.2448 0.5036 O.co2 1 UNK -0.5442 6 O4 5.9878 -1.2381 1.9730 O.co2 1 UNK -0.5442 7 N -2.4400 0.0381 -0.0810 N.ar 1 UNK -0.1333 8 N1 -2.8667 -2.0828 0.4645 N.ar 1 UNK -0.2989 9 N2 -4.6957 0.8056 -0.5558 N.ar 1 UNK -0.1731 10 N3 5.9228 -3.0820 -0.0868 N.4 1 UNK 0.2249 11 N4 -6.3267 -0.9824 -0.2413 N.ar 1 UNK -0.2186 12 N5 -5.7001 -3.1857 0.4511 N.pl3 1 UNK -0.3412 13 C 0.6309 1.5820 -0.1162 C.3 1 UNK 0.1022 14 C1 0.0168 1.7958 1.2564 C.3 1 UNK 0.1169 15 C2 -1.4301 2.1021 0.9181 C.3 1 UNK 0.1728 16 C3 -1.6719 1.2582 -0.3346 C.3 1 UNK 0.2980 17 C4 1.8963 0.7437 -0.0891 C.3 1 UNK 0.0139 18 C5 4.2710 0.1647 -1.2336 C.3 1 UNK -0.0097 19 C6 -3.7934 -0.1183 -0.1927 C.ar 1 UNK 0.3369 20 C7 -1.9289 -1.1704 0.3158 C.ar 1 UNK 0.2499 21 C8 4.4271 -1.3135 -0.8875 C.3 1 UNK 0.0040 22 C9 2.8318 2.2744 -2.1056 C.3 1 UNK -0.0267 23 C10 -4.0370 -1.4388 0.1500 C.ar 1 UNK 0.1769 24 C11 5.8474 -1.6607 -0.4273 C.3 1 UNK 0.0167 25 C12 -5.3615 -1.8631 0.1171 C.ar 1 UNK 0.1499 26 C13 6.2207 -0.8928 0.8232 C.2 1 UNK 0.0894 27 C14 -5.9394 0.2786 -0.5510 C.ar 1 UNK 0.1247 28 H 1.5758 2.5750 2.1556 H 1 UNK 0.2100 29 H1 -1.4519 4.0194 1.3891 H 1 UNK 0.2103 30 H2 -2.7532 -3.0209 0.7407 H 1 UNK 0.1712 31 H3 5.6779 -3.6409 -0.9042 H 1 UNK 0.2001 32 H4 5.2715 -3.2850 0.6715 H 1 UNK 0.2001 33 H5 6.8716 -3.3107 0.2096 H 1 UNK 0.2001 34 H6 -6.6408 -3.4748 0.4243 H 1 UNK 0.1438 35 H7 -4.9965 -3.8231 0.7119 H 1 UNK 0.1438 36 H8 0.9259 2.5227 -0.5321 H 1 UNK 0.0633 37 H9 0.1170 0.9565 1.9124 H 1 UNK 0.0649 38 H10 -2.0953 1.8917 1.7293 H 1 UNK 0.0716 39 H11 -2.2571 1.8397 -1.0160 H 1 UNK 0.1445 40 H12 2.6254 1.2335 0.5220 H 1 UNK 0.0395 41 H13 1.6537 -0.2198 0.3081 H 1 UNK 0.0395 42 H14 4.5041 0.7543 -0.3717 H 1 UNK 0.0371 43 H15 4.9371 0.4036 -2.0362 H 1 UNK 0.0371 44 H16 -0.9250 -1.3450 0.4791 H 1 UNK 0.1600 45 H17 4.1953 -1.8955 -1.7549 H 1 UNK 0.0331 46 H18 3.7607 -1.5307 -0.0790 H 1 UNK 0.0331 47 H19 1.9141 2.7070 -2.4456 H 1 UNK 0.0333 48 H20 3.5793 2.3824 -2.8635 H 1 UNK 0.0333 49 H21 3.1525 2.7727 -1.2147 H 1 UNK 0.0333 50 H22 6.5112 -1.4098 -1.2281 H 1 UNK 0.0915 51 H23 -6.6981 0.9244 -0.8199 H 1 UNK 0.1050 @BOND 1 1 17 1 2 1 18 1 3 1 22 1 4 2 13 1 5 2 16 1 6 3 14 1 7 4 15 1 8 5 26 ar 9 6 26 ar 10 7 16 1 11 7 19 ar 12 7 20 ar 13 8 20 ar 14 8 23 ar 15 9 19 ar 16 9 27 ar 17 10 24 1 18 11 25 ar 19 11 27 ar 20 12 25 1 21 13 14 1 22 13 17 1 23 14 15 1 24 15 16 1 25 18 21 1 26 19 23 ar 27 21 24 1 28 23 25 ar 29 24 26 1 30 3 28 1 31 4 29 1 32 8 30 1 33 10 31 1 34 10 32 1 35 10 33 1 36 12 34 1 37 12 35 1 38 13 36 1 39 14 37 1 40 15 38 1 41 16 39 1 42 17 40 1 43 17 41 1 44 18 42 1 45 18 43 1 46 20 44 1 47 21 45 1 48 21 46 1 49 22 47 1 50 22 48 1 51 22 49 1 52 24 50 1 53 27 51 1