@MOLECULE FDBD00855 39 39 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.4165 2.7067 -1.2573 O.3 1 UNK -0.3819 2 O1 -3.8453 -1.0609 1.3085 O.3 1 UNK -0.5064 3 O2 -3.7420 -0.7456 -2.0639 O.3 1 UNK -0.3903 4 N 2.2727 0.0320 0.5169 N.4 1 UNK 0.2328 5 C 3.3738 -0.8535 0.1237 C.3 1 UNK -0.0203 6 C1 1.9088 0.9127 -0.5800 C.3 1 UNK -0.0023 7 C2 0.7603 1.8442 -0.1737 C.3 1 UNK 0.1197 8 C3 3.7126 -1.7668 1.3066 C.3 1 UNK -0.0193 9 C4 2.9206 -1.6928 -1.0756 C.3 1 UNK -0.0193 10 C5 4.5954 -0.0083 -0.2561 C.3 1 UNK -0.0193 11 C6 -0.4745 1.0629 0.2190 C.ar 1 UNK -0.0135 12 C7 -1.0381 0.1863 -0.6919 C.ar 1 UNK -0.0471 13 C8 -1.0138 1.2418 1.4812 C.ar 1 UNK -0.0525 14 C9 -2.1763 -0.5340 -0.3292 C.ar 1 UNK 0.0195 15 C10 -2.7332 -0.3663 0.9386 C.ar 1 UNK 0.1222 16 C11 -2.1519 0.5216 1.8438 C.ar 1 UNK -0.0195 17 C12 -2.7855 -1.4800 -1.3105 C.3 1 UNK 0.0727 18 H 1.1968 3.2174 -1.5242 H 1 UNK 0.2105 19 H1 -4.2444 -1.6601 0.7088 H 1 UNK 0.2921 20 H2 -4.1598 -1.3312 -2.7145 H 1 UNK 0.2098 21 H3 2.5640 0.5947 1.3162 H 1 UNK 0.2020 22 H4 1.4637 -0.5383 0.7633 H 1 UNK 0.2020 23 H5 1.6013 0.3215 -1.4171 H 1 UNK 0.0843 24 H6 2.7591 1.5092 -0.8370 H 1 UNK 0.0843 25 H7 1.0986 2.4145 0.6661 H 1 UNK 0.0698 26 H8 2.8540 -2.3515 1.5631 H 1 UNK 0.0287 27 H9 4.0017 -1.1702 2.1465 H 1 UNK 0.0287 28 H10 4.5187 -2.4164 1.0362 H 1 UNK 0.0287 29 H11 2.0684 -2.2781 -0.7997 H 1 UNK 0.0287 30 H12 3.7160 -2.3414 -1.3780 H 1 UNK 0.0287 31 H13 2.6609 -1.0449 -1.8866 H 1 UNK 0.0287 32 H14 4.9031 0.5732 0.5878 H 1 UNK 0.0287 33 H15 4.3402 0.6441 -1.0649 H 1 UNK 0.0287 34 H16 5.3954 -0.6524 -0.5563 H 1 UNK 0.0287 35 H17 -0.6212 0.0670 -1.6284 H 1 UNK 0.0626 36 H18 -0.5789 1.9003 2.1462 H 1 UNK 0.0622 37 H19 -2.5639 0.6456 2.7818 H 1 UNK 0.0654 38 H20 -2.0303 -1.8719 -1.9593 H 1 UNK 0.0608 39 H21 -3.2487 -2.3030 -0.8076 H 1 UNK 0.0608 @BOND 1 1 7 1 2 2 15 1 3 3 17 1 4 4 5 1 5 4 6 1 6 5 8 1 7 5 9 1 8 5 10 1 9 6 7 1 10 7 11 1 11 11 12 ar 12 11 13 ar 13 12 14 ar 14 13 16 ar 15 14 15 ar 16 14 17 1 17 15 16 ar 18 1 18 1 19 2 19 1 20 3 20 1 21 4 21 1 22 4 22 1 23 6 23 1 24 6 24 1 25 7 25 1 26 8 26 1 27 8 27 1 28 8 28 1 29 9 29 1 30 9 30 1 31 9 31 1 32 10 32 1 33 10 33 1 34 10 34 1 35 12 35 1 36 13 36 1 37 16 37 1 38 17 38 1 39 17 39 1