@MOLECULE FDBD00058 72 74 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.6365 -0.6900 -2.1167 O.3 1 UNK -0.3915 2 C 1.2287 1.2867 0.2961 C.3 1 UNK -0.0225 3 C1 2.4804 0.4095 0.5543 C.3 1 UNK -0.0325 4 C2 0.2181 0.1800 -0.0951 C.3 1 UNK -0.0139 5 C3 1.9307 -0.8174 1.3117 C.3 1 UNK -0.0489 6 C4 0.4342 -0.9016 0.9680 C.3 1 UNK -0.0457 7 C5 1.3933 2.2852 -0.8742 C.3 1 UNK -0.0465 8 C6 3.6419 1.0789 1.2749 C.3 1 UNK -0.0405 9 C7 -1.1547 0.7401 -0.3611 C.2 1 UNK -0.0659 10 C8 0.8131 2.0650 1.5717 C.3 1 UNK -0.0588 11 C9 0.1749 2.3379 -1.8163 C.3 1 UNK -0.0488 12 C10 -1.1663 2.0457 -1.1304 C.3 1 UNK -0.0312 13 C11 4.8535 0.1405 1.4560 C.3 1 UNK -0.0502 14 C12 4.0843 2.3316 0.5078 C.3 1 UNK -0.0621 15 C13 -2.2980 0.1554 0.0256 C.2 1 UNK -0.0620 16 C14 5.4379 -0.4595 0.1703 C.3 1 UNK -0.0526 17 C15 6.5887 -1.4392 0.4214 C.3 1 UNK -0.0507 18 C16 -3.6009 0.7067 -0.2517 C.2 1 UNK -0.0583 19 C17 7.2217 -1.9863 -0.8730 C.3 1 UNK -0.0467 20 C18 -4.7457 0.1218 0.1352 C.2 1 UNK -0.0423 21 C19 -6.0970 0.7066 -0.2111 C.3 1 UNK -0.0013 22 C20 7.7443 -0.8761 -1.7861 C.3 1 UNK -0.0627 23 C21 6.1975 -2.8353 -1.6310 C.3 1 UNK -0.0627 24 C22 -4.7817 -1.1345 0.8771 C.2 1 UNK -0.0511 25 C23 -7.0565 -0.3335 -0.8012 C.3 1 UNK 0.0595 26 C24 -5.7286 -2.1737 0.3293 C.3 1 UNK -0.0256 27 C25 -7.1213 -1.5944 0.0631 C.3 1 UNK -0.0226 28 C26 -4.0558 -1.3497 1.9856 C.2 1 UNK -0.0952 29 H -6.5936 0.1061 -2.6693 H 1 UNK 0.2098 30 H1 2.9477 0.1638 -0.3764 H 1 UNK 0.0309 31 H2 0.3636 -0.2894 -1.0456 H 1 UNK 0.0351 32 H3 2.0622 -0.6914 2.3661 H 1 UNK 0.0268 33 H4 2.4456 -1.7118 1.0292 H 1 UNK 0.0268 34 H5 0.1903 -1.8678 0.5783 H 1 UNK 0.0271 35 H6 -0.1873 -0.7553 1.8266 H 1 UNK 0.0271 36 H7 2.2508 1.9978 -1.4460 H 1 UNK 0.0271 37 H8 1.4991 3.2589 -0.4433 H 1 UNK 0.0271 38 H9 3.2885 1.3424 2.2499 H 1 UNK 0.0301 39 H10 0.6974 1.3801 2.3856 H 1 UNK 0.0235 40 H11 -0.1139 2.5694 1.3956 H 1 UNK 0.0235 41 H12 1.5691 2.7824 1.8140 H 1 UNK 0.0235 42 H13 0.3193 1.6149 -2.5918 H 1 UNK 0.0268 43 H14 0.1175 3.3398 -2.1875 H 1 UNK 0.0268 44 H15 -1.3842 2.8424 -0.4502 H 1 UNK 0.0310 45 H16 -1.9106 1.9650 -1.8948 H 1 UNK 0.0310 46 H17 4.5493 -0.6690 2.0861 H 1 UNK 0.0268 47 H18 5.6304 0.7491 1.8693 H 1 UNK 0.0268 48 H19 4.4342 2.0501 -0.4634 H 1 UNK 0.0233 49 H20 4.8723 2.8182 1.0436 H 1 UNK 0.0233 50 H21 3.2549 3.0002 0.4081 H 1 UNK 0.0233 51 H22 -2.2424 -0.7332 0.5475 H 1 UNK 0.0617 52 H23 5.8008 0.3395 -0.4419 H 1 UNK 0.0265 53 H24 4.6534 -1.0106 -0.3048 H 1 UNK 0.0265 54 H25 6.2135 -2.2642 0.9902 H 1 UNK 0.0268 55 H26 7.3525 -0.9015 0.9432 H 1 UNK 0.0268 56 H27 -3.6563 1.5953 -0.7736 H 1 UNK 0.0620 57 H28 8.0609 -2.5849 -0.5862 H 1 UNK 0.0295 58 H29 -5.9581 1.4896 -0.9270 H 1 UNK 0.0338 59 H30 -6.5333 1.0725 0.6948 H 1 UNK 0.0338 60 H31 6.9296 -0.2547 -2.0943 H 1 UNK 0.0232 61 H32 8.2069 -1.3109 -2.6474 H 1 UNK 0.0232 62 H33 8.4620 -0.2861 -1.2554 H 1 UNK 0.0232 63 H34 5.3650 -2.2242 -1.9111 H 1 UNK 0.0232 64 H35 5.8594 -3.6322 -1.0021 H 1 UNK 0.0232 65 H36 6.6524 -3.2428 -2.5096 H 1 UNK 0.0232 66 H37 -8.0316 0.1059 -0.8316 H 1 UNK 0.0596 67 H38 -5.8152 -2.9706 1.0381 H 1 UNK 0.0314 68 H39 -5.3327 -2.5254 -0.6005 H 1 UNK 0.0314 69 H40 -7.7118 -2.3303 -0.4416 H 1 UNK 0.0293 70 H41 -7.5572 -1.3306 1.0040 H 1 UNK 0.0293 71 H42 -3.4170 -0.6180 2.3342 H 1 UNK 0.0538 72 H43 -4.1365 -2.2469 2.4892 H 1 UNK 0.0538 @BOND 1 1 25 1 2 2 3 1 3 2 4 1 4 2 7 1 5 2 10 1 6 3 5 1 7 3 8 1 8 4 6 1 9 4 9 1 10 5 6 1 11 7 11 1 12 8 13 1 13 8 14 1 14 9 12 1 15 9 15 2 16 11 12 1 17 13 16 1 18 15 18 1 19 16 17 1 20 17 19 1 21 18 20 2 22 19 22 1 23 19 23 1 24 20 21 1 25 20 24 1 26 21 25 1 27 24 26 1 28 24 28 2 29 25 27 1 30 26 27 1 31 1 29 1 32 3 30 1 33 4 31 1 34 5 32 1 35 5 33 1 36 6 34 1 37 6 35 1 38 7 36 1 39 7 37 1 40 8 38 1 41 10 39 1 42 10 40 1 43 10 41 1 44 11 42 1 45 11 43 1 46 12 44 1 47 12 45 1 48 13 46 1 49 13 47 1 50 14 48 1 51 14 49 1 52 14 50 1 53 15 51 1 54 16 52 1 55 16 53 1 56 17 54 1 57 17 55 1 58 18 56 1 59 19 57 1 60 21 58 1 61 21 59 1 62 22 60 1 63 22 61 1 64 22 62 1 65 23 63 1 66 23 64 1 67 23 65 1 68 25 66 1 69 26 67 1 70 26 68 1 71 27 69 1 72 27 70 1 73 28 71 1 74 28 72 1