@MOLECULE FDBD00834 40 42 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.4422 -2.3525 -0.0816 O.3 1 UNK -0.4914 2 O1 -4.0171 -1.0917 -0.9227 O.2 1 UNK -0.2758 3 N -3.0693 0.8849 -0.1634 N.am 1 UNK -0.3153 4 C -0.1069 1.0635 -0.1113 C.3 1 UNK -0.0135 5 C1 1.2803 0.5054 0.0311 C.ar 1 UNK -0.0343 6 C2 0.1980 2.5734 -0.2270 C.3 1 UNK -0.0421 7 C3 1.4746 2.8248 0.5849 C.3 1 UNK -0.0269 8 C4 2.1790 1.5136 0.4223 C.ar 1 UNK -0.0434 9 C5 -0.9074 0.5636 -1.3044 C.3 1 UNK -0.0305 10 C6 1.7513 -0.7791 -0.1093 C.ar 1 UNK 0.0012 11 C7 1.0805 -2.0285 -0.5235 C.3 1 UNK 0.0104 12 C8 3.1008 -1.0355 0.1088 C.ar 1 UNK 0.1241 13 C9 3.5302 1.2535 0.6491 C.ar 1 UNK -0.0548 14 C10 -2.2955 1.1878 -1.3868 C.3 1 UNK 0.0121 15 C11 2.1671 -3.0324 -0.1382 C.3 1 UNK 0.0937 16 C12 4.0052 -0.0474 0.4762 C.ar 1 UNK -0.0194 17 C13 -3.8543 -0.2322 -0.0610 C.2 1 UNK 0.2128 18 C14 -4.5233 -0.2840 1.3002 C.3 1 UNK 0.0211 19 C15 -5.4353 -1.4872 1.4567 C.3 1 UNK -0.0570 20 H -3.0185 1.5047 0.5998 H 1 UNK 0.1487 21 H1 -0.7386 0.7690 0.7006 H 1 UNK 0.0350 22 H2 -0.6128 3.1457 0.1729 H 1 UNK 0.0274 23 H3 0.3262 2.8645 -1.2486 H 1 UNK 0.0274 24 H4 1.2536 3.0275 1.6120 H 1 UNK 0.0313 25 H5 2.0419 3.6732 0.2636 H 1 UNK 0.0313 26 H6 -1.0140 -0.4980 -1.2241 H 1 UNK 0.0286 27 H7 -0.3752 0.8429 -2.1896 H 1 UNK 0.0286 28 H8 0.8764 -2.0436 -1.5737 H 1 UNK 0.0347 29 H9 0.1215 -2.2007 -0.0813 H 1 UNK 0.0347 30 H10 4.1684 2.0105 0.9400 H 1 UNK 0.0622 31 H11 -2.1997 2.2485 -1.4900 H 1 UNK 0.0462 32 H12 -2.8096 0.7815 -2.2327 H 1 UNK 0.0462 33 H13 1.9427 -3.4530 0.8197 H 1 UNK 0.0700 34 H14 2.2085 -3.8154 -0.8663 H 1 UNK 0.0700 35 H15 5.0030 -0.2695 0.6177 H 1 UNK 0.0654 36 H16 -5.1037 0.6053 1.4309 H 1 UNK 0.0356 37 H17 -3.7521 -0.3637 2.0376 H 1 UNK 0.0356 38 H18 -6.2199 -1.4369 0.7309 H 1 UNK 0.0234 39 H19 -5.8582 -1.4887 2.4396 H 1 UNK 0.0234 40 H20 -4.8707 -2.3842 1.3100 H 1 UNK 0.0234 @BOND 1 1 12 1 2 1 15 1 3 2 17 2 4 3 14 1 5 3 17 am 6 4 5 1 7 4 6 1 8 4 9 1 9 5 8 ar 10 5 10 ar 11 6 7 1 12 7 8 1 13 8 13 ar 14 9 14 1 15 10 11 1 16 10 12 ar 17 11 15 1 18 12 16 ar 19 13 16 ar 20 17 18 1 21 18 19 1 22 3 20 1 23 4 21 1 24 6 22 1 25 6 23 1 26 7 24 1 27 7 25 1 28 9 26 1 29 9 27 1 30 11 28 1 31 11 29 1 32 13 30 1 33 14 31 1 34 14 32 1 35 15 33 1 36 15 34 1 37 16 35 1 38 18 36 1 39 18 37 1 40 19 38 1 41 19 39 1 42 19 40 1