@MOLECULE FDBD01826 50 52 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.3315 -2.4297 2.2566 C.3 1 UNK -0.0397 2 C1 4.2525 3.2026 -2.4058 C.3 1 UNK -0.0077 3 C2 4.4074 4.4550 -1.5674 C.3 1 UNK -0.0077 4 C3 8.1686 -4.0769 -1.0629 C.ar 1 UNK -0.0577 5 C4 8.9149 -3.6372 -2.1509 C.ar 1 UNK -0.0362 6 C5 7.2967 -3.1947 -0.4304 C.ar 1 UNK -0.0356 7 C6 3.8218 -2.0704 2.3050 C.ar 1 UNK -0.0583 8 C7 2.6095 -1.4985 0.2973 C.ar 1 UNK -0.0583 9 C8 5.0174 -1.6886 1.6930 C.ar 1 UNK -0.0537 10 C9 3.8078 -1.1402 -0.3254 C.ar 1 UNK -0.0537 11 C10 9.5061 -1.8362 -3.7409 C.2 1 UNK -0.0346 12 C11 9.5102 -0.5538 -4.1449 C.2 1 UNK -0.0374 13 C12 6.6494 0.4287 -0.3850 C.2 1 UNK -0.0297 14 C13 5.6245 2.5692 -2.3229 C.3 1 UNK -0.0314 15 C14 5.2752 4.0244 -0.3971 C.3 1 UNK -0.0314 16 C15 5.8623 1.6207 0.0367 C.3 1 UNK -0.0121 17 C16 2.6074 -1.9646 1.6175 C.ar 1 UNK -0.0504 18 C17 5.0196 -1.2303 0.3704 C.ar 1 UNK -0.0160 19 C18 8.7735 -2.3210 -2.5685 C.ar 1 UNK 0.0646 20 C19 6.2940 -0.8754 -0.2911 C.2 1 UNK 0.0085 21 C20 7.2171 -1.8845 -0.8908 C.ar 1 UNK 0.0721 22 C21 10.2509 -0.0855 -5.3897 C.2 1 UNK 0.0646 23 N 7.9452 -1.4477 -1.9431 N.ar 1 UNK -0.2473 24 N1 6.0382 2.8078 -0.8817 N.4 1 UNK 0.2381 25 O 10.1841 1.1658 -5.5647 O.co2 1 UNK -0.5452 26 O1 10.8099 -0.9795 -6.0798 O.co2 1 UNK -0.5452 27 H 1.5296 -2.7462 3.2593 H 1 UNK 0.0278 28 H1 0.9300 -3.2485 1.6969 H 1 UNK 0.0278 29 H2 0.6253 -1.6260 2.2692 H 1 UNK 0.0278 30 H3 4.0007 3.4449 -3.4171 H 1 UNK 0.0319 31 H4 3.4686 2.5594 -2.0642 H 1 UNK 0.0319 32 H5 3.4546 4.8009 -1.2246 H 1 UNK 0.0319 33 H6 4.8403 5.2631 -2.1192 H 1 UNK 0.0319 34 H7 8.2602 -5.0485 -0.7273 H 1 UNK 0.0619 35 H8 9.5613 -4.2771 -2.6384 H 1 UNK 0.0639 36 H9 6.7196 -3.5074 0.3660 H 1 UNK 0.0639 37 H10 3.8338 -2.4331 3.2711 H 1 UNK 0.0620 38 H11 1.7197 -1.4190 -0.2195 H 1 UNK 0.0620 39 H12 5.9039 -1.7446 2.2184 H 1 UNK 0.0624 40 H13 3.7998 -0.8077 -1.3023 H 1 UNK 0.0624 41 H14 10.0514 -2.5196 -4.2892 H 1 UNK 0.0639 42 H15 8.9896 0.1419 -3.5880 H 1 UNK 0.0636 43 H16 7.5759 0.6187 -0.7979 H 1 UNK 0.0632 44 H17 6.3055 3.0417 -2.9996 H 1 UNK 0.0814 45 H18 5.6221 1.5330 -2.5898 H 1 UNK 0.0814 46 H19 4.6668 3.7723 0.4462 H 1 UNK 0.0814 47 H20 5.9347 4.8067 -0.0842 H 1 UNK 0.0814 48 H21 6.1742 1.9031 1.0205 H 1 UNK 0.0861 49 H22 4.8287 1.3457 0.0052 H 1 UNK 0.0861 50 H23 7.0456 2.9659 -0.8571 H 1 UNK 0.2037 @BOND 1 9 7 ar 2 17 7 ar 3 18 9 ar 4 18 10 ar 5 10 8 ar 6 17 8 ar 7 19 5 ar 8 5 4 ar 9 23 19 ar 10 23 21 ar 11 21 6 ar 12 6 4 ar 13 3 2 1 14 14 2 1 15 15 3 1 16 24 15 1 17 24 14 1 18 1 17 1 19 20 18 1 20 20 21 1 21 19 11 1 22 12 11 2 23 22 12 1 24 26 22 ar 25 25 22 ar 26 20 13 2 27 16 13 1 28 16 24 1 29 1 27 1 30 1 28 1 31 1 29 1 32 2 30 1 33 2 31 1 34 3 32 1 35 3 33 1 36 4 34 1 37 5 35 1 38 6 36 1 39 7 37 1 40 8 38 1 41 9 39 1 42 10 40 1 43 11 41 1 44 12 42 1 45 13 43 1 46 14 44 1 47 14 45 1 48 15 46 1 49 15 47 1 50 16 48 1 51 16 49 1 52 24 50 1