@MOLECULE FDBD01305 53 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.3094 -0.9359 -1.3357 O.co2 1 UNK -0.5498 2 O1 -6.1506 0.3643 0.5250 O.co2 1 UNK -0.5498 3 C 2.5736 -2.0952 -0.4352 C.3 1 UNK -0.0530 4 C1 2.8753 -1.2849 -1.6976 C.3 1 UNK -0.0528 5 C2 1.1443 -2.6456 -0.3936 C.3 1 UNK -0.0531 6 C3 0.3128 2.1103 0.0609 C.3 1 UNK -0.0528 7 C4 -1.1370 1.9513 0.5234 C.3 1 UNK -0.0530 8 C5 4.3285 -0.8007 -1.7726 C.3 1 UNK -0.0496 9 C6 1.1232 2.9473 1.0554 C.3 1 UNK -0.0496 10 C7 -1.9408 1.0884 -0.4517 C.3 1 UNK -0.0527 11 C8 0.8080 -3.5378 0.8057 C.3 1 UNK -0.0533 12 C9 4.7867 0.0956 -0.6158 C.3 1 UNK -0.0348 13 C10 2.5761 3.1547 0.6172 C.3 1 UNK -0.0348 14 C11 -3.3828 0.9035 0.0311 C.3 1 UNK -0.0480 15 C12 0.8975 -2.8676 2.1782 C.3 1 UNK -0.0559 16 C13 4.0163 1.3813 -0.5285 C.2 1 UNK -0.0879 17 C14 3.3472 1.8695 0.5273 C.2 1 UNK -0.0879 18 C15 -4.2205 0.0679 -0.9368 C.3 1 UNK -0.0132 19 C16 -0.0014 -1.6499 2.3222 C.3 1 UNK -0.0653 20 C17 -5.6470 -0.1167 -0.4789 C.2 1 UNK 0.0417 21 H 2.7189 -1.4636 0.4162 H 1 UNK 0.0265 22 H1 3.2362 -2.9353 -0.4328 H 1 UNK 0.0265 23 H2 2.2310 -0.4308 -1.7154 H 1 UNK 0.0265 24 H3 2.7117 -1.9297 -2.5356 H 1 UNK 0.0265 25 H4 0.9872 -3.2187 -1.2834 H 1 UNK 0.0265 26 H5 0.5062 -1.7910 -0.3080 H 1 UNK 0.0265 27 H6 0.3236 2.5947 -0.8931 H 1 UNK 0.0265 28 H7 0.7561 1.1386 -0.0041 H 1 UNK 0.0265 29 H8 -1.5902 2.9184 0.5880 H 1 UNK 0.0265 30 H9 -1.1356 1.4691 1.4786 H 1 UNK 0.0265 31 H10 4.4459 -0.2501 -2.6825 H 1 UNK 0.0268 32 H11 4.9344 -1.6811 -1.7196 H 1 UNK 0.0268 33 H12 1.1203 2.4492 2.0024 H 1 UNK 0.0268 34 H13 0.6643 3.9123 1.1108 H 1 UNK 0.0268 35 H14 -1.4747 0.1288 -0.5344 H 1 UNK 0.0265 36 H15 -1.9620 1.5807 -1.4015 H 1 UNK 0.0265 37 H16 1.4857 -4.3658 0.7995 H 1 UNK 0.0265 38 H17 -0.2181 -3.8154 0.6835 H 1 UNK 0.0265 39 H18 5.8222 0.3274 -0.7536 H 1 UNK 0.0307 40 H19 4.6151 -0.4424 0.2930 H 1 UNK 0.0307 41 H20 3.0589 3.7939 1.3266 H 1 UNK 0.0307 42 H21 2.5582 3.5881 -0.3609 H 1 UNK 0.0307 43 H22 -3.8365 1.8670 0.1342 H 1 UNK 0.0269 44 H23 -3.3491 0.3831 0.9654 H 1 UNK 0.0269 45 H24 1.9100 -2.5613 2.3394 H 1 UNK 0.0263 46 H25 0.5692 -3.5863 2.8997 H 1 UNK 0.0263 47 H26 3.9993 1.9592 -1.3834 H 1 UNK 0.0569 48 H27 3.3648 1.2910 1.3817 H 1 UNK 0.0569 49 H28 -3.7669 -0.8962 -1.0347 H 1 UNK 0.0325 50 H29 -4.2502 0.5935 -1.8684 H 1 UNK 0.0325 51 H30 0.2940 -0.9029 1.6153 H 1 UNK 0.0230 52 H31 0.0862 -1.2572 3.3137 H 1 UNK 0.0230 53 H32 -1.0170 -1.9326 2.1389 H 1 UNK 0.0230 @BOND 1 1 20 ar 2 2 20 ar 3 3 4 1 4 3 5 1 5 4 8 1 6 5 11 1 7 6 7 1 8 6 9 1 9 7 10 1 10 8 12 1 11 9 13 1 12 10 14 1 13 11 15 1 14 12 16 1 15 13 17 1 16 14 18 1 17 15 19 1 18 16 17 2 19 18 20 1 20 3 21 1 21 3 22 1 22 4 23 1 23 4 24 1 24 5 25 1 25 5 26 1 26 6 27 1 27 6 28 1 28 7 29 1 29 7 30 1 30 8 31 1 31 8 32 1 32 9 33 1 33 9 34 1 34 10 35 1 35 10 36 1 36 11 37 1 37 11 38 1 38 12 39 1 39 12 40 1 40 13 41 1 41 13 42 1 42 14 43 1 43 14 44 1 44 15 45 1 45 15 46 1 46 16 47 1 47 17 48 1 48 18 49 1 49 18 50 1 50 19 51 1 51 19 52 1 52 19 53 1