@MOLECULE FDBD00045 55 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.5426 0.6405 1.3325 O.co2 1 UNK -0.5498 2 O1 -5.6892 -0.3195 -0.5483 O.co2 1 UNK -0.5498 3 C -0.8584 1.5650 -0.9903 C.3 1 UNK -0.0528 4 C1 -1.9543 1.8038 0.0509 C.3 1 UNK -0.0527 5 C2 0.4405 2.3214 -0.6932 C.3 1 UNK -0.0496 6 C3 -3.2165 1.0014 -0.2823 C.3 1 UNK -0.0480 7 C4 1.5631 2.0243 -1.6949 C.3 1 UNK -0.0348 8 C5 -4.3188 1.1906 0.7556 C.3 1 UNK -0.0132 9 C6 0.2335 -3.5152 0.1157 C.3 1 UNK -0.0496 10 C7 0.8458 -2.7483 -1.0627 C.3 1 UNK -0.0530 11 C8 0.7577 -3.0415 1.4772 C.3 1 UNK -0.0348 12 C9 0.2825 -3.1741 -2.4208 C.3 1 UNK -0.0559 13 C10 2.8720 2.7349 -1.4674 C.2 1 UNK -0.0876 14 C11 3.9239 2.2876 -0.7648 C.2 1 UNK -0.0842 15 C12 0.4446 -1.5983 1.7452 C.2 1 UNK -0.0876 16 C13 -5.5655 0.4162 0.4203 C.2 1 UNK 0.0417 17 C14 0.8304 -2.3644 -3.5861 C.3 1 UNK -0.0653 18 C15 3.9648 0.9577 -0.0676 C.3 1 UNK -0.0165 19 C16 1.3788 -0.6614 1.9670 C.2 1 UNK -0.0842 20 C17 2.8523 -0.9457 1.9736 C.3 1 UNK -0.0165 21 C18 4.1255 1.1367 1.4135 C.2 1 UNK -0.0839 22 C19 3.6299 0.2884 2.3270 C.2 1 UNK -0.0839 23 H -1.2236 1.8807 -1.9452 H 1 UNK 0.0265 24 H1 -0.6267 0.5206 -0.9702 H 1 UNK 0.0265 25 H2 -2.1974 2.8457 0.0697 H 1 UNK 0.0265 26 H3 -1.5912 1.4849 1.0056 H 1 UNK 0.0265 27 H4 0.7770 2.0459 0.2844 H 1 UNK 0.0268 28 H5 0.2208 3.3660 -0.7668 H 1 UNK 0.0268 29 H6 -2.9615 -0.0368 -0.3270 H 1 UNK 0.0269 30 H7 -3.5889 1.3552 -1.2209 H 1 UNK 0.0269 31 H8 1.2107 2.2956 -2.6681 H 1 UNK 0.0307 32 H9 1.7812 0.9836 -1.5756 H 1 UNK 0.0307 33 H10 -4.5648 2.2306 0.8092 H 1 UNK 0.0325 34 H11 -3.9506 0.8247 1.6913 H 1 UNK 0.0325 35 H12 0.4653 -4.5538 0.0038 H 1 UNK 0.0268 36 H13 -0.8214 -3.3370 0.0996 H 1 UNK 0.0268 37 H14 1.9024 -2.9170 -1.0653 H 1 UNK 0.0265 38 H15 0.6027 -1.7149 -0.9288 H 1 UNK 0.0265 39 H16 1.8195 -3.1719 1.5000 H 1 UNK 0.0307 40 H17 0.2726 -3.6242 2.2321 H 1 UNK 0.0307 41 H18 -0.7809 -3.0577 -2.3979 H 1 UNK 0.0263 42 H19 0.5763 -4.1908 -2.5785 H 1 UNK 0.0263 43 H20 2.9702 3.6672 -1.8990 H 1 UNK 0.0569 44 H21 4.7560 2.8945 -0.6994 H 1 UNK 0.0572 45 H22 -0.5462 -1.3101 1.7597 H 1 UNK 0.0569 46 H23 0.5573 -1.3368 -3.4661 H 1 UNK 0.0230 47 H24 0.4226 -2.7371 -4.5024 H 1 UNK 0.0230 48 H25 1.8967 -2.4496 -3.6095 H 1 UNK 0.0230 49 H26 4.7899 0.3897 -0.4438 H 1 UNK 0.0350 50 H27 3.0441 0.4451 -0.2530 H 1 UNK 0.0350 51 H28 1.0675 0.3067 2.1425 H 1 UNK 0.0572 52 H29 3.1494 -1.2817 1.0021 H 1 UNK 0.0350 53 H30 3.0535 -1.7000 2.7053 H 1 UNK 0.0350 54 H31 4.6480 1.9609 1.7492 H 1 UNK 0.0572 55 H32 3.7918 0.4952 3.3250 H 1 UNK 0.0572 @BOND 1 1 16 ar 2 2 16 ar 3 3 4 1 4 3 5 1 5 4 6 1 6 5 7 1 7 6 8 1 8 7 13 1 9 8 16 1 10 9 10 1 11 9 11 1 12 10 12 1 13 11 15 1 14 12 17 1 15 13 14 2 16 14 18 1 17 15 19 2 18 18 21 1 19 19 20 1 20 20 22 1 21 21 22 2 22 3 23 1 23 3 24 1 24 4 25 1 25 4 26 1 26 5 27 1 27 5 28 1 28 6 29 1 29 6 30 1 30 7 31 1 31 7 32 1 32 8 33 1 33 8 34 1 34 9 35 1 35 9 36 1 36 10 37 1 37 10 38 1 38 11 39 1 39 11 40 1 40 12 41 1 41 12 42 1 42 13 43 1 43 14 44 1 44 15 45 1 45 17 46 1 46 17 47 1 47 17 48 1 48 18 49 1 49 18 50 1 50 19 51 1 51 20 52 1 52 20 53 1 53 21 54 1 54 22 55 1