@MOLECULE FDBD00822 28 28 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.5314 1.0921 1.5978 O.co2 1 UNK -0.5439 2 O1 -2.7621 1.9338 -0.1006 O.co2 1 UNK -0.5439 3 O2 2.7513 2.0227 -0.4364 O.3 1 UNK -0.5033 4 O3 4.1025 -0.1380 0.6718 O.3 1 UNK -0.5033 5 N -3.6209 -0.6341 -0.7280 N.4 1 UNK 0.2271 6 C -2.3067 -0.4643 -0.0901 C.3 1 UNK 0.0279 7 C1 -1.2065 -0.7450 -1.1422 C.3 1 UNK 0.0236 8 C2 0.2164 -0.5791 -0.6568 C.ar 1 UNK -0.0377 9 C3 -2.2570 -1.4665 1.0738 C.3 1 UNK -0.0130 10 C4 -2.2417 0.9682 0.4469 C.2 1 UNK 0.0926 11 C5 0.8304 0.6562 -0.7726 C.ar 1 UNK -0.0131 12 C6 0.8746 -1.6662 -0.1077 C.ar 1 UNK -0.0547 13 C7 2.1429 0.8091 -0.3255 C.ar 1 UNK 0.1585 14 C8 2.1870 -1.5132 0.3393 C.ar 1 UNK -0.0163 15 C9 2.8210 -0.2756 0.2305 C.ar 1 UNK 0.1582 16 H 2.2886 2.7462 -0.8111 H 1 UNK 0.2923 17 H1 4.5356 0.6900 0.6023 H 1 UNK 0.2923 18 H2 -3.6992 -1.5812 -1.0985 H 1 UNK 0.2003 19 H3 -3.7188 0.0379 -1.4891 H 1 UNK 0.2003 20 H4 -4.3562 -0.4768 -0.0388 H 1 UNK 0.2003 21 H5 -1.3555 -0.0738 -1.9620 H 1 UNK 0.0375 22 H6 -1.3085 -1.7770 -1.4056 H 1 UNK 0.0375 23 H7 -2.3030 -2.4635 0.6882 H 1 UNK 0.0291 24 H8 -3.0885 -1.2975 1.7257 H 1 UNK 0.0291 25 H9 -1.3449 -1.3362 1.6179 H 1 UNK 0.0291 26 H10 0.3230 1.4547 -1.1849 H 1 UNK 0.0658 27 H11 0.3998 -2.5792 -0.0300 H 1 UNK 0.0621 28 H12 2.6889 -2.3157 0.7505 H 1 UNK 0.0655 @BOND 1 1 10 ar 2 2 10 ar 3 3 13 1 4 4 15 1 5 5 6 1 6 6 7 1 7 6 9 1 8 6 10 1 9 7 8 1 10 8 11 ar 11 8 12 ar 12 11 13 ar 13 12 14 ar 14 13 15 ar 15 14 15 ar 16 3 16 1 17 4 17 1 18 5 18 1 19 5 19 1 20 5 20 1 21 7 21 1 22 7 22 1 23 9 23 1 24 9 24 1 25 9 25 1 26 11 26 1 27 12 27 1 28 14 28 1