@MOLECULE FDBD00369 63 67 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.7874 -1.0232 -2.5371 O.2 1 UNK -0.2747 2 O1 -8.0618 -0.0930 -0.2623 O.3 1 UNK -0.4914 3 N -0.5194 -1.6586 0.6673 N.4 1 UNK 0.2357 4 N1 1.3965 0.7579 -2.2300 N.am 1 UNK -0.3283 5 C 1.6613 -0.9111 0.4916 C.3 1 UNK 0.0260 6 C1 2.6673 -0.0537 -0.2581 C.3 1 UNK 0.1042 7 C2 1.6440 -2.3721 0.0357 C.3 1 UNK -0.0033 8 C3 0.2207 -0.4507 0.3010 C.3 1 UNK -0.0272 9 C4 0.1667 -2.7557 -0.0182 C.3 1 UNK -0.0314 10 C5 -1.9292 -1.5768 0.3162 C.3 1 UNK -0.0278 11 C6 4.1472 -0.5441 -0.0873 C.ar 1 UNK -0.0277 12 C7 2.5768 1.4267 0.2379 C.ar 1 UNK -0.0277 13 C8 2.3185 -0.1682 -1.7849 C.2 1 UNK 0.2258 14 C9 -2.6210 -0.4513 1.0862 C.3 1 UNK 0.0127 15 C10 4.4751 -1.1272 1.0946 C.ar 1 UNK -0.0572 16 C11 2.7981 2.4074 -0.6782 C.ar 1 UNK -0.0572 17 C12 4.9902 -0.3496 -1.1341 C.ar 1 UNK -0.0572 18 C13 2.2826 1.6294 1.5503 C.ar 1 UNK -0.0572 19 C14 -4.0783 -0.3706 0.7504 C.ar 1 UNK -0.0419 20 C15 5.7913 -1.5636 1.2466 C.ar 1 UNK -0.0615 21 C16 2.7173 3.7279 -0.2360 C.ar 1 UNK -0.0615 22 C17 6.3063 -0.7861 -0.9821 C.ar 1 UNK -0.0615 23 C18 2.2016 2.9499 1.9923 C.ar 1 UNK -0.0615 24 C19 -4.5019 0.4382 -0.3076 C.ar 1 UNK -0.0516 25 C20 -5.0053 -1.1167 1.4975 C.ar 1 UNK -0.0549 26 C21 6.7067 -1.3931 0.2083 C.ar 1 UNK -0.0617 27 C22 2.4189 3.9991 1.0991 C.ar 1 UNK -0.0617 28 C23 -5.8551 0.4917 -0.5864 C.ar 1 UNK -0.0023 29 C24 -6.7647 -0.2458 0.1569 C.ar 1 UNK 0.1238 30 C25 -6.5687 1.2028 -1.6692 C.3 1 UNK 0.0101 31 C26 -6.3677 -1.0618 1.1983 C.ar 1 UNK -0.0194 32 C27 -8.0014 1.0420 -1.1587 C.3 1 UNK 0.0937 33 H -0.5252 -1.7981 1.6777 H 1 UNK 0.2033 34 H1 1.1180 0.7606 -3.1743 H 1 UNK 0.1450 35 H2 1.0175 1.4157 -1.6031 H 1 UNK 0.1450 36 H3 1.9872 -0.8133 1.5061 H 1 UNK 0.0371 37 H4 2.1671 -2.9900 0.7354 H 1 UNK 0.0322 38 H5 2.1263 -2.5021 -0.9105 H 1 UNK 0.0322 39 H6 -0.0181 0.3663 0.9494 H 1 UNK 0.0818 40 H7 0.0044 -0.0863 -0.6815 H 1 UNK 0.0818 41 H8 -0.1668 -2.8365 -1.0317 H 1 UNK 0.0814 42 H9 -0.0252 -3.7048 0.4371 H 1 UNK 0.0814 43 H10 -2.4034 -2.5061 0.5535 H 1 UNK 0.0818 44 H11 -2.0085 -1.3723 -0.7311 H 1 UNK 0.0818 45 H12 -2.1547 0.4787 0.8360 H 1 UNK 0.0365 46 H13 -2.5287 -0.6548 2.1326 H 1 UNK 0.0365 47 H14 3.7798 -1.2426 1.8485 H 1 UNK 0.0621 48 H15 3.0171 2.1834 -1.6615 H 1 UNK 0.0621 49 H16 4.6706 0.1021 -2.0052 H 1 UNK 0.0621 50 H17 2.1256 0.8377 2.1934 H 1 UNK 0.0621 51 H18 6.0876 -2.0126 2.1273 H 1 UNK 0.0618 52 H19 2.8783 4.5041 -0.8967 H 1 UNK 0.0618 53 H20 6.9838 -0.6600 -1.7503 H 1 UNK 0.0618 54 H21 1.9809 3.1507 2.9802 H 1 UNK 0.0618 55 H22 -3.8236 0.9804 -0.8652 H 1 UNK 0.0624 56 H23 -4.6760 -1.7107 2.2745 H 1 UNK 0.0621 57 H24 7.6804 -1.7160 0.3207 H 1 UNK 0.0618 58 H25 2.3589 4.9760 1.4262 H 1 UNK 0.0618 59 H26 -6.4264 0.7324 -2.6197 H 1 UNK 0.0347 60 H27 -6.2531 2.2102 -1.8437 H 1 UNK 0.0347 61 H28 -7.0549 -1.6121 1.7368 H 1 UNK 0.0654 62 H29 -8.2966 1.9275 -0.6356 H 1 UNK 0.0700 63 H30 -8.6622 0.8834 -1.9852 H 1 UNK 0.0700 @BOND 1 1 13 2 2 2 29 1 3 2 32 1 4 3 8 1 5 3 9 1 6 3 10 1 7 4 13 am 8 5 6 1 9 5 7 1 10 5 8 1 11 6 11 1 12 6 12 1 13 6 13 1 14 7 9 1 15 10 14 1 16 11 15 ar 17 11 17 ar 18 12 16 ar 19 12 18 ar 20 14 19 1 21 15 20 ar 22 16 21 ar 23 17 22 ar 24 18 23 ar 25 19 24 ar 26 19 25 ar 27 20 26 ar 28 21 27 ar 29 22 26 ar 30 23 27 ar 31 24 28 ar 32 25 31 ar 33 28 29 ar 34 28 30 1 35 29 31 ar 36 30 32 1 37 3 33 1 38 4 34 1 39 4 35 1 40 5 36 1 41 7 37 1 42 7 38 1 43 8 39 1 44 8 40 1 45 9 41 1 46 9 42 1 47 10 43 1 48 10 44 1 49 14 45 1 50 14 46 1 51 15 47 1 52 16 48 1 53 17 49 1 54 18 50 1 55 20 51 1 56 21 52 1 57 22 53 1 58 23 54 1 59 24 55 1 60 25 56 1 61 26 57 1 62 27 58 1 63 30 59 1 64 30 60 1 65 31 61 1 66 32 62 1 67 32 63 1