@MOLECULE FDBD01668 44 44 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.6684 -0.0653 0.1074 O.3 1 UNK -0.4558 2 O1 2.0965 -2.2942 0.1680 O.2 1 UNK -0.2450 3 N -3.5615 0.7635 -0.0856 N.pl3 1 UNK -0.3438 4 N1 6.3012 0.5659 0.1994 N.4 1 UNK 0.2333 5 C -6.0051 0.7101 -0.0830 C.3 1 UNK -0.0377 6 C1 -4.7143 -0.1045 -0.0863 C.3 1 UNK 0.0091 7 C2 -7.2574 -0.1691 -0.0366 C.3 1 UNK -0.0545 8 C3 -2.2537 0.3064 -0.0369 C.ar 1 UNK 0.0272 9 C4 4.8792 0.8682 0.1340 C.3 1 UNK 0.0027 10 C5 4.0570 -0.4103 0.1558 C.3 1 UNK 0.1323 11 C6 -8.5234 0.6711 0.0321 C.3 1 UNK -0.0652 12 C7 0.4012 -0.6208 0.0649 C.ar 1 UNK 0.0591 13 C8 -1.1737 1.2084 -0.0376 C.ar 1 UNK -0.0401 14 C9 -1.9718 -1.0713 0.0160 C.ar 1 UNK -0.0401 15 C10 0.1423 0.7488 0.0128 C.ar 1 UNK -0.0460 16 C11 -0.6558 -1.5309 0.0666 C.ar 1 UNK -0.0460 17 C12 1.7733 -1.1000 0.1189 C.2 1 UNK 0.3394 18 C13 7.0927 1.7984 0.2207 C.3 1 UNK -0.0432 19 C14 6.7051 -0.2744 -0.9307 C.3 1 UNK -0.0432 20 H -3.7124 1.7357 -0.1218 H 1 UNK 0.1461 21 H1 6.4750 0.0532 1.0639 H 1 UNK 0.2029 22 H2 -6.0370 1.3049 -0.9719 H 1 UNK 0.0280 23 H3 -6.0027 1.3166 0.7985 H 1 UNK 0.0280 24 H4 -4.6879 -0.7237 0.7859 H 1 UNK 0.0461 25 H5 -4.6904 -0.7063 -0.9707 H 1 UNK 0.0461 26 H6 -7.2095 -0.7978 0.8279 H 1 UNK 0.0263 27 H7 -7.2905 -0.7553 -0.9311 H 1 UNK 0.0263 28 H8 4.6747 1.4020 -0.7705 H 1 UNK 0.0848 29 H9 4.6142 1.4624 0.9835 H 1 UNK 0.0848 30 H10 4.3076 -1.0138 -0.6915 H 1 UNK 0.0752 31 H11 4.2643 -0.9613 1.0493 H 1 UNK 0.0752 32 H12 -8.5090 1.2656 0.9216 H 1 UNK 0.0230 33 H13 -9.3782 0.0276 0.0470 H 1 UNK 0.0230 34 H14 -8.5736 1.3111 -0.8239 H 1 UNK 0.0230 35 H15 -1.3577 2.2231 -0.0759 H 1 UNK 0.0636 36 H16 -2.7488 -1.7504 0.0174 H 1 UNK 0.0636 37 H17 0.9244 1.4221 0.0115 H 1 UNK 0.0626 38 H18 -0.4642 -2.5442 0.1053 H 1 UNK 0.0626 39 H19 6.9209 2.3482 -0.6810 H 1 UNK 0.0777 40 H20 8.1316 1.5538 0.2969 H 1 UNK 0.0777 41 H21 6.8037 2.3934 1.0618 H 1 UNK 0.0777 42 H22 6.5287 0.2504 -1.8463 H 1 UNK 0.0777 43 H23 6.1354 -1.1801 -0.9232 H 1 UNK 0.0777 44 H24 7.7462 -0.5072 -0.8479 H 1 UNK 0.0777 @BOND 1 1 10 1 2 1 17 1 3 2 17 2 4 3 6 1 5 3 8 1 6 4 9 1 7 4 18 1 8 4 19 1 9 5 6 1 10 5 7 1 11 7 11 1 12 8 13 ar 13 8 14 ar 14 9 10 1 15 12 15 ar 16 12 16 ar 17 12 17 1 18 13 15 ar 19 14 16 ar 20 3 20 1 21 4 21 1 22 5 22 1 23 5 23 1 24 6 24 1 25 6 25 1 26 7 26 1 27 7 27 1 28 9 28 1 29 9 29 1 30 10 30 1 31 10 31 1 32 11 32 1 33 11 33 1 34 11 34 1 35 13 35 1 36 14 36 1 37 15 37 1 38 16 38 1 39 18 39 1 40 18 40 1 41 18 41 1 42 19 42 1 43 19 43 1 44 19 44 1