@MOLECULE FDBD00076 47 47 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.4051 -1.6514 -0.2187 O.3 1 UNK -0.4892 2 O1 -5.1788 -1.7685 -0.0636 O.3 1 UNK -0.3831 3 O2 5.5184 1.6842 0.4120 O.3 1 UNK -0.4679 4 O3 5.9798 -0.5026 -0.1601 O.2 1 UNK -0.2509 5 N -3.6623 1.5561 0.5338 N.4 1 UNK 0.2307 6 C -4.4553 -0.7868 0.6838 C.3 1 UNK 0.1285 7 C1 -4.4163 0.5051 -0.1359 C.3 1 UNK -0.0035 8 C2 -3.5930 2.7543 -0.2917 C.3 1 UNK -0.0283 9 C3 -3.0691 -1.3426 1.0028 C.3 1 UNK 0.1204 10 C4 -3.3087 3.9644 0.5924 C.3 1 UNK -0.0219 11 C5 -2.5203 2.5956 -1.3655 C.3 1 UNK -0.0219 12 C6 1.7383 -1.2922 -0.2347 C.ar 1 UNK -0.0466 13 C7 3.2238 -1.1629 -0.2410 C.3 1 UNK -0.0176 14 C8 -1.0410 -1.5334 -0.2242 C.ar 1 UNK 0.1206 15 C9 1.0719 -1.6300 0.9432 C.ar 1 UNK -0.0551 16 C10 1.0149 -1.0749 -1.4074 C.ar 1 UNK -0.0551 17 C11 -0.3176 -1.7507 0.9486 C.ar 1 UNK -0.0197 18 C12 -0.3746 -1.1956 -1.4022 C.ar 1 UNK -0.0197 19 C13 3.6846 0.2637 0.0845 C.3 1 UNK 0.0489 20 C14 5.1903 0.3981 0.0883 C.2 1 UNK 0.3071 21 C15 6.9201 1.9703 0.4555 C.3 1 UNK 0.0817 22 H -6.0626 -1.4284 -0.2735 H 1 UNK 0.2102 23 H1 -2.7162 1.2225 0.7180 H 1 UNK 0.2017 24 H2 -4.1347 1.7895 1.4072 H 1 UNK 0.2017 25 H3 -4.9253 -0.5600 1.6179 H 1 UNK 0.0681 26 H4 -3.9582 0.3004 -1.0810 H 1 UNK 0.0841 27 H5 -5.4224 0.8482 -0.2585 H 1 UNK 0.0841 28 H6 -4.5309 2.9028 -0.7849 H 1 UNK 0.0845 29 H7 -2.5048 -0.6121 1.5440 H 1 UNK 0.0725 30 H8 -3.1606 -2.2259 1.5997 H 1 UNK 0.0725 31 H9 -2.3724 3.8288 1.0922 H 1 UNK 0.0284 32 H10 -4.0886 4.0673 1.3177 H 1 UNK 0.0284 33 H11 -3.2657 4.8459 -0.0126 H 1 UNK 0.0284 34 H12 -1.5688 2.4452 -0.8997 H 1 UNK 0.0284 35 H13 -2.4864 3.4785 -1.9690 H 1 UNK 0.0284 36 H14 -2.7536 1.7518 -1.9807 H 1 UNK 0.0284 37 H15 3.5884 -1.4296 -1.2110 H 1 UNK 0.0318 38 H16 3.6125 -1.8132 0.5145 H 1 UNK 0.0318 39 H17 1.6071 -1.7906 1.8108 H 1 UNK 0.0621 40 H18 1.5078 -0.8248 -2.2789 H 1 UNK 0.0621 41 H19 -0.8105 -2.0007 1.8201 H 1 UNK 0.0654 42 H20 -0.9097 -1.0350 -2.2699 H 1 UNK 0.0654 43 H21 3.3135 0.5321 1.0516 H 1 UNK 0.0381 44 H22 3.3020 0.9110 -0.6768 H 1 UNK 0.0381 45 H23 7.0665 2.9976 0.7165 H 1 UNK 0.0661 46 H24 7.3527 1.7811 -0.5047 H 1 UNK 0.0661 47 H25 7.3890 1.3461 1.1872 H 1 UNK 0.0661 @BOND 1 1 9 1 2 1 14 1 3 2 6 1 4 3 20 1 5 3 21 1 6 4 20 2 7 5 7 1 8 5 8 1 9 6 7 1 10 6 9 1 11 8 10 1 12 8 11 1 13 12 13 1 14 12 15 ar 15 12 16 ar 16 13 19 1 17 14 17 ar 18 14 18 ar 19 15 17 ar 20 16 18 ar 21 19 20 1 22 2 22 1 23 5 23 1 24 5 24 1 25 6 25 1 26 7 26 1 27 7 27 1 28 8 28 1 29 9 29 1 30 9 30 1 31 10 31 1 32 10 32 1 33 10 33 1 34 11 34 1 35 11 35 1 36 11 36 1 37 13 37 1 38 13 38 1 39 15 39 1 40 16 40 1 41 17 41 1 42 18 42 1 43 19 43 1 44 19 44 1 45 21 45 1 46 21 46 1 47 21 47 1