@MOLECULE FDBD01556 58 57 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.9428 -3.1565 0.3990 O.3 1 UNK -0.4649 2 O1 1.1737 -2.0443 -1.4704 O.2 1 UNK -0.2509 3 C -1.5123 -2.3382 -0.6570 C.3 1 UNK -0.0395 4 C1 -2.8762 -2.6635 -0.0466 C.3 1 UNK -0.0343 5 C2 -0.3773 -2.9137 0.1890 C.3 1 UNK 0.0452 6 C3 -3.9962 -2.1328 -0.8922 C.2 1 UNK -0.0876 7 C4 -4.5533 -0.9248 -0.7187 C.2 1 UNK -0.0842 8 C5 -4.1247 0.0454 0.3432 C.3 1 UNK -0.0165 9 C6 0.9790 -2.6379 -0.4186 C.2 1 UNK 0.3071 10 C7 -4.3555 1.4679 -0.0803 C.2 1 UNK -0.0839 11 C8 -1.9225 2.2183 0.1811 C.3 1 UNK -0.0165 12 C9 -3.3835 2.3924 -0.1427 C.2 1 UNK -0.0839 13 C10 0.3349 0.8083 1.5809 C.3 1 UNK -0.0165 14 C11 -1.5425 2.4661 1.6121 C.2 1 UNK -0.0839 15 C12 -0.5359 1.8383 2.2388 C.2 1 UNK -0.0839 16 C13 2.6012 2.4932 0.5426 C.3 1 UNK -0.0165 17 C14 3.2913 -2.9717 -0.0436 C.3 1 UNK 0.0896 18 C15 1.7160 0.8014 2.1675 C.2 1 UNK -0.0839 19 C16 2.7271 1.5525 1.7049 C.2 1 UNK -0.0839 20 C17 3.6058 2.1850 -0.5292 C.2 1 UNK -0.0842 21 C18 1.8636 1.9075 -2.3130 C.3 1 UNK -0.0376 22 C19 3.2735 1.9240 -1.8024 C.2 1 UNK -0.0879 23 C20 4.2313 -3.5982 0.9641 C.3 1 UNK -0.0306 24 C21 1.4396 3.2813 -2.8086 C.3 1 UNK -0.0618 25 H -1.4003 -1.2757 -0.7150 H 1 UNK 0.0273 26 H1 -1.4641 -2.7763 -1.6320 H 1 UNK 0.0273 27 H2 -2.9359 -2.2227 0.9265 H 1 UNK 0.0307 28 H3 -2.9736 -3.7275 0.0113 H 1 UNK 0.0307 29 H4 -0.5102 -3.9723 0.2709 H 1 UNK 0.0378 30 H5 -0.4105 -2.4436 1.1496 H 1 UNK 0.0378 31 H6 -4.3588 -2.7313 -1.6507 H 1 UNK 0.0569 32 H7 -5.3200 -0.6469 -1.3512 H 1 UNK 0.0572 33 H8 -3.0821 -0.0934 0.5397 H 1 UNK 0.0350 34 H9 -4.7076 -0.1408 1.2209 H 1 UNK 0.0350 35 H10 -5.3141 1.7504 -0.3376 H 1 UNK 0.0572 36 H11 -1.3664 2.8982 -0.4299 H 1 UNK 0.0350 37 H12 -1.7012 1.1885 -0.0070 H 1 UNK 0.0350 38 H13 -3.6718 3.3348 -0.4491 H 1 UNK 0.0572 39 H14 0.4021 1.0261 0.5354 H 1 UNK 0.0350 40 H15 -0.1033 -0.1545 1.7416 H 1 UNK 0.0350 41 H16 -2.0881 3.1608 2.1457 H 1 UNK 0.0572 42 H17 -0.3506 2.0764 3.2257 H 1 UNK 0.0572 43 H18 2.7574 3.4940 0.8874 H 1 UNK 0.0350 44 H19 1.6221 2.3809 0.1258 H 1 UNK 0.0350 45 H20 3.5010 -1.9258 -0.1278 H 1 UNK 0.0694 46 H21 3.4248 -3.4348 -0.9989 H 1 UNK 0.0694 47 H22 1.8988 0.1832 2.9734 H 1 UNK 0.0572 48 H23 3.6429 1.4791 2.1749 H 1 UNK 0.0572 49 H24 4.6054 2.1733 -0.2730 H 1 UNK 0.0572 50 H25 1.2098 1.6053 -1.5217 H 1 UNK 0.0305 51 H26 1.8089 1.2212 -3.1321 H 1 UNK 0.0305 52 H27 4.0337 1.7225 -2.4706 H 1 UNK 0.0569 53 H28 4.0943 -3.1321 1.9175 H 1 UNK 0.0262 54 H29 5.2424 -3.4610 0.6420 H 1 UNK 0.0262 55 H30 4.0216 -4.6443 1.0451 H 1 UNK 0.0262 56 H31 1.4881 3.9822 -2.0016 H 1 UNK 0.0233 57 H32 0.4370 3.2330 -3.1793 H 1 UNK 0.0233 58 H33 2.0954 3.5953 -3.5936 H 1 UNK 0.0233 @BOND 1 1 9 1 2 1 17 1 3 2 9 2 4 3 4 1 5 3 5 1 6 4 6 1 7 5 9 1 8 6 7 2 9 7 8 1 10 8 10 1 11 10 12 2 12 11 12 1 13 11 14 1 14 13 15 1 15 13 18 1 16 14 15 2 17 16 19 1 18 16 20 1 19 17 23 1 20 18 19 2 21 20 22 2 22 21 22 1 23 21 24 1 24 3 25 1 25 3 26 1 26 4 27 1 27 4 28 1 28 5 29 1 29 5 30 1 30 6 31 1 31 7 32 1 32 8 33 1 33 8 34 1 34 10 35 1 35 11 36 1 36 11 37 1 37 12 38 1 38 13 39 1 39 13 40 1 40 14 41 1 41 15 42 1 42 16 43 1 43 16 44 1 44 17 45 1 45 17 46 1 46 18 47 1 47 19 48 1 48 20 49 1 49 21 50 1 50 21 51 1 51 22 52 1 52 23 53 1 53 23 54 1 54 23 55 1 55 24 56 1 56 24 57 1 57 24 58 1