@MOLECULE FDBD00981 45 47 0 0 0 SMALL GASTEIGER @ATOM 1 S -5.0292 1.0875 0.1775 S.3 1 UNK -0.0542 2 O 1.6198 1.7558 -0.9119 O.3 1 UNK -0.4916 3 O1 -5.2929 -2.6972 -0.5309 O.2 1 UNK -0.2741 4 O2 -7.5995 1.0998 0.7308 O.2 1 UNK -0.2625 5 N -6.6189 -0.9104 0.0998 N.am 1 UNK -0.2463 6 N1 4.4515 0.5301 -1.1303 N.ar 1 UNK -0.2595 7 C -4.3099 -0.4957 -0.3561 C.3 1 UNK 0.0945 8 C1 -3.1474 -0.8907 0.5373 C.3 1 UNK -0.0069 9 C2 -1.8742 -0.1835 0.1499 C.ar 1 UNK -0.0456 10 C3 -5.4333 -1.5050 -0.2798 C.2 1 UNK 0.2336 11 C4 -1.5711 1.0398 0.7289 C.ar 1 UNK -0.0551 12 C5 -1.0255 -0.7677 -0.7786 C.ar 1 UNK -0.0551 13 C6 3.7380 2.6209 -0.1395 C.3 1 UNK 0.0239 14 C7 0.4699 1.1177 -0.5615 C.ar 1 UNK 0.1205 15 C8 2.2291 2.5854 0.0762 C.3 1 UNK 0.0950 16 C9 -0.3924 1.6941 0.3711 C.ar 1 UNK -0.0197 17 C10 0.1533 -0.1133 -1.1363 C.ar 1 UNK -0.0197 18 C11 4.3697 1.2569 -0.0022 C.ar 1 UNK 0.0445 19 C12 -6.6386 0.4300 0.3827 C.2 1 UNK 0.2789 20 C13 5.4961 -1.2021 0.1936 C.ar 1 UNK -0.0295 21 C14 4.8107 0.8528 1.2386 C.ar 1 UNK -0.0400 22 C15 6.1087 -2.5560 0.2591 C.3 1 UNK -0.0291 23 C16 5.3870 -0.4093 1.3306 C.ar 1 UNK -0.0555 24 C17 5.0174 -0.6911 -1.0019 C.ar 1 UNK 0.0310 25 C18 5.0818 -3.6488 0.5527 C.3 1 UNK -0.0612 26 H -7.4433 -1.4444 0.1668 H 1 UNK 0.1583 27 H1 -3.9133 -0.4348 -1.3480 H 1 UNK 0.0515 28 H2 -2.9941 -1.9467 0.4585 H 1 UNK 0.0329 29 H3 -3.3903 -0.6095 1.5407 H 1 UNK 0.0329 30 H4 -2.2122 1.4623 1.4185 H 1 UNK 0.0621 31 H5 -1.2640 -1.6785 -1.2011 H 1 UNK 0.0621 32 H6 4.1737 3.2762 0.5855 H 1 UNK 0.0361 33 H7 3.9176 2.9654 -1.1365 H 1 UNK 0.0361 34 H8 2.0183 2.1928 1.0490 H 1 UNK 0.0700 35 H9 1.8369 3.5777 -0.0044 H 1 UNK 0.0700 36 H10 -0.1583 2.6048 0.7964 H 1 UNK 0.0654 37 H11 0.7913 -0.5399 -1.8263 H 1 UNK 0.0654 38 H12 4.7172 1.4620 2.0663 H 1 UNK 0.0636 39 H13 6.8469 -2.5616 1.0337 H 1 UNK 0.0311 40 H14 6.5408 -2.7642 -0.6974 H 1 UNK 0.0311 41 H15 5.7323 -0.7562 2.2391 H 1 UNK 0.0621 42 H16 5.0977 -1.2788 -1.8464 H 1 UNK 0.0832 43 H17 4.6308 -3.4676 1.5059 H 1 UNK 0.0233 44 H18 5.5683 -4.6017 0.5637 H 1 UNK 0.0233 45 H19 4.3272 -3.6423 -0.2059 H 1 UNK 0.0233 @BOND 1 1 7 1 2 1 19 1 3 2 14 1 4 2 15 1 5 3 10 2 6 4 19 2 7 5 10 am 8 5 19 am 9 6 18 ar 10 6 24 ar 11 7 8 1 12 7 10 1 13 8 9 1 14 9 11 ar 15 9 12 ar 16 11 16 ar 17 12 17 ar 18 13 15 1 19 13 18 1 20 14 16 ar 21 14 17 ar 22 18 21 ar 23 20 22 1 24 20 23 ar 25 20 24 ar 26 21 23 ar 27 22 25 1 28 5 26 1 29 7 27 1 30 8 28 1 31 8 29 1 32 11 30 1 33 12 31 1 34 13 32 1 35 13 33 1 36 15 34 1 37 15 35 1 38 16 36 1 39 17 37 1 40 21 38 1 41 22 39 1 42 22 40 1 43 23 41 1 44 24 42 1 45 25 43 1 46 25 44 1 47 25 45 1