@MOLECULE FDBD01625 54 55 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.2326 0.4839 1.8181 S.3 1 UNK -0.1427 2 S1 4.3867 2.3384 0.6293 S.3 1 UNK -0.1252 3 N -5.3149 1.7303 -0.4924 N.4 1 UNK 0.2315 4 C -1.2025 -0.0165 0.3741 C.3 1 UNK 0.0553 5 C1 0.1711 0.5615 0.4364 C.ar 1 UNK -0.0301 6 C2 -1.2389 -1.5242 0.1105 C.ar 1 UNK -0.0301 7 C3 -3.8308 0.4710 0.9823 C.3 1 UNK 0.0348 8 C4 -4.0186 1.7518 0.1787 C.3 1 UNK -0.0232 9 C5 0.5610 1.5340 -0.4844 C.ar 1 UNK -0.0562 10 C6 1.0655 0.1300 1.4160 C.ar 1 UNK -0.0562 11 C7 2.7396 1.6436 0.5538 C.ar 1 UNK 0.0079 12 C8 -1.2244 -2.4200 1.1798 C.ar 1 UNK -0.0572 13 C9 -1.2862 -2.0024 -1.1991 C.ar 1 UNK -0.0572 14 C10 1.8452 2.0751 -0.4257 C.ar 1 UNK -0.0480 15 C11 2.3498 0.6712 1.4748 C.ar 1 UNK -0.0480 16 C12 5.0663 0.3832 -1.2477 C.3 1 UNK -0.0439 17 C13 5.0396 1.8924 -1.0066 C.3 1 UNK -0.0017 18 C14 5.9666 -0.3799 -0.2724 C.3 1 UNK -0.0552 19 C15 -1.2572 -3.7936 0.9393 C.ar 1 UNK -0.0615 20 C16 -1.3191 -3.3759 -1.4395 C.ar 1 UNK -0.0615 21 C17 -5.7343 3.0875 -0.8434 C.3 1 UNK -0.0433 22 C18 -5.2601 0.8891 -1.6886 C.3 1 UNK -0.0433 23 C19 -1.3047 -4.2716 -0.3703 C.ar 1 UNK -0.0617 24 C20 6.0330 -1.8587 -0.6228 C.3 1 UNK -0.0653 25 H -6.0016 1.3353 0.1501 H 1 UNK 0.2028 26 H1 -1.6524 0.4168 -0.4947 H 1 UNK 0.0510 27 H2 -4.6099 0.3947 1.7118 H 1 UNK 0.0429 28 H3 -3.8683 -0.3658 0.3166 H 1 UNK 0.0429 29 H4 -3.9737 2.5939 0.8373 H 1 UNK 0.0822 30 H5 -3.2429 1.8251 -0.5546 H 1 UNK 0.0822 31 H6 -0.1008 1.8532 -1.2091 H 1 UNK 0.0621 32 H7 0.7771 -0.5896 2.0972 H 1 UNK 0.0621 33 H8 -1.1894 -2.0665 2.1487 H 1 UNK 0.0621 34 H9 -1.2969 -1.3398 -1.9902 H 1 UNK 0.0621 35 H10 2.1336 2.7947 -1.1069 H 1 UNK 0.0629 36 H11 3.0115 0.3522 2.1996 H 1 UNK 0.0629 37 H12 5.4191 0.2062 -2.2422 H 1 UNK 0.0273 38 H13 4.0692 0.0250 -1.0985 H 1 UNK 0.0273 39 H14 6.0378 2.2687 -1.0895 H 1 UNK 0.0380 40 H15 4.3887 2.3221 -1.7391 H 1 UNK 0.0380 41 H16 5.5763 -0.2736 0.7182 H 1 UNK 0.0263 42 H17 6.9543 0.0268 -0.3358 H 1 UNK 0.0263 43 H18 -1.2463 -4.4563 1.7303 H 1 UNK 0.0618 44 H19 -1.3541 -3.7295 -2.4084 H 1 UNK 0.0618 45 H20 -5.0236 3.5172 -1.5180 H 1 UNK 0.0777 46 H21 -5.7904 3.6840 0.0431 H 1 UNK 0.0777 47 H22 -6.6956 3.0538 -1.3120 H 1 UNK 0.0777 48 H23 -4.5431 1.2902 -2.3742 H 1 UNK 0.0777 49 H24 -6.2238 0.8663 -2.1531 H 1 UNK 0.0777 50 H25 -4.9733 -0.1043 -1.4132 H 1 UNK 0.0777 51 H26 -1.3292 -5.2879 -0.5481 H 1 UNK 0.0618 52 H27 5.0526 -2.2834 -0.5646 H 1 UNK 0.0230 53 H28 6.6802 -2.3598 0.0663 H 1 UNK 0.0230 54 H29 6.4129 -1.9731 -1.6165 H 1 UNK 0.0230 @BOND 1 1 4 1 2 1 7 1 3 2 11 1 4 2 17 1 5 3 8 1 6 3 21 1 7 3 22 1 8 4 5 1 9 4 6 1 10 5 9 ar 11 5 10 ar 12 6 12 ar 13 6 13 ar 14 7 8 1 15 9 14 ar 16 10 15 ar 17 11 14 ar 18 11 15 ar 19 12 19 ar 20 13 20 ar 21 16 17 1 22 16 18 1 23 18 24 1 24 19 23 ar 25 20 23 ar 26 3 25 1 27 4 26 1 28 7 27 1 29 7 28 1 30 8 29 1 31 8 30 1 32 9 31 1 33 10 32 1 34 12 33 1 35 13 34 1 36 14 35 1 37 15 36 1 38 16 37 1 39 16 38 1 40 17 39 1 41 17 40 1 42 18 41 1 43 18 42 1 44 19 43 1 45 20 44 1 46 21 45 1 47 21 46 1 48 21 47 1 49 22 48 1 50 22 49 1 51 22 50 1 52 23 51 1 53 24 52 1 54 24 53 1 55 24 54 1