@MOLECULE FDBD01085 39 39 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.6630 0.1444 0.8836 O.3 1 UNK -0.4917 2 O1 3.4432 -1.5237 0.9762 O.co2 1 UNK -0.5493 3 O2 4.8714 0.2145 1.1712 O.co2 1 UNK -0.5493 4 C 3.3546 0.1813 -0.7467 C.3 1 UNK 0.0046 5 C1 1.8245 0.3825 -0.6008 C.3 1 UNK -0.0397 6 C2 1.4026 1.3361 0.5220 C.3 1 UNK -0.0178 7 C3 4.0383 1.5104 -1.1249 C.3 1 UNK -0.0547 8 C4 3.6357 -0.8246 -1.8788 C.3 1 UNK -0.0547 9 C5 -0.1156 1.4312 0.6285 C.3 1 UNK 0.0896 10 C6 3.9756 -0.3489 0.5528 C.2 1 UNK 0.0474 11 C7 -1.9311 -0.0907 0.4203 C.ar 1 UNK 0.1236 12 C8 -2.3200 -1.3737 0.0497 C.ar 1 UNK -0.0088 13 C9 -2.8223 0.9733 0.3267 C.ar 1 UNK -0.0168 14 C10 -4.1169 0.7515 -0.1429 C.ar 1 UNK -0.0470 15 C11 -3.6146 -1.5953 -0.4200 C.ar 1 UNK -0.0551 16 C12 -4.5129 -0.5328 -0.5162 C.ar 1 UNK -0.0584 17 C13 -1.3713 -2.5226 0.1450 C.3 1 UNK -0.0362 18 C14 -5.0780 1.8872 -0.2458 C.3 1 UNK -0.0396 19 H 1.3805 -0.5722 -0.4102 H 1 UNK 0.0275 20 H1 1.4925 0.8296 -1.5144 H 1 UNK 0.0275 21 H2 1.7993 2.3091 0.3200 H 1 UNK 0.0298 22 H3 1.7825 0.9564 1.4474 H 1 UNK 0.0298 23 H4 3.6104 1.8865 -2.0306 H 1 UNK 0.0238 24 H5 5.0858 1.3448 -1.2672 H 1 UNK 0.0238 25 H6 3.8933 2.2223 -0.3393 H 1 UNK 0.0238 26 H7 3.2067 -0.4645 -2.7905 H 1 UNK 0.0238 27 H8 3.2030 -1.7712 -1.6304 H 1 UNK 0.0238 28 H9 4.6927 -0.9369 -2.0019 H 1 UNK 0.0238 29 H10 -0.3746 2.0923 1.4290 H 1 UNK 0.0696 30 H11 -0.5110 1.8067 -0.2921 H 1 UNK 0.0696 31 H12 -2.5269 1.9226 0.6035 H 1 UNK 0.0657 32 H13 -3.9077 -2.5454 -0.6963 H 1 UNK 0.0621 33 H14 -5.4707 -0.6968 -0.8636 H 1 UNK 0.0620 34 H15 -0.4307 -2.1782 0.5211 H 1 UNK 0.0279 35 H16 -1.2320 -2.9515 -0.8253 H 1 UNK 0.0279 36 H17 -1.7713 -3.2615 0.8075 H 1 UNK 0.0279 37 H18 -4.6021 2.7879 0.0814 H 1 UNK 0.0278 38 H19 -5.9304 1.6900 0.3702 H 1 UNK 0.0278 39 H20 -5.3911 1.9985 -1.2629 H 1 UNK 0.0278 @BOND 1 1 9 1 2 1 11 1 3 2 10 ar 4 3 10 ar 5 4 5 1 6 4 7 1 7 4 8 1 8 4 10 1 9 5 6 1 10 6 9 1 11 11 12 ar 12 11 13 ar 13 12 15 ar 14 12 17 1 15 13 14 ar 16 14 16 ar 17 14 18 1 18 15 16 ar 19 5 19 1 20 5 20 1 21 6 21 1 22 6 22 1 23 7 23 1 24 7 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 13 31 1 32 15 32 1 33 16 33 1 34 17 34 1 35 17 35 1 36 17 36 1 37 18 37 1 38 18 38 1 39 18 39 1