@MOLECULE FDBD00774 56 56 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.0191 -2.6709 -0.5130 O.3 1 UNK -0.3908 2 O1 4.1470 1.8261 0.8402 O.2 1 UNK -0.2970 3 O2 -0.7521 -4.5658 -0.7371 O.3 1 UNK -0.3878 4 O3 -3.0274 1.3856 -2.4518 O.co2 1 UNK -0.5498 5 O4 -0.7944 1.0297 -2.2638 O.co2 1 UNK -0.5498 6 C 2.2990 -1.1145 0.1831 C.3 1 UNK 0.0134 7 C1 2.2351 0.4108 0.3557 C.3 1 UNK 0.0296 8 C2 3.5621 -1.3359 -0.6598 C.3 1 UNK 0.0688 9 C3 4.5821 -0.3549 -0.0861 C.3 1 UNK 0.0327 10 C4 3.7077 0.7602 0.4264 C.2 1 UNK 0.1398 11 C5 1.4737 0.8455 1.5957 C.3 1 UNK -0.0246 12 C6 1.0678 -1.6733 -0.4551 C.2 1 UNK -0.0793 13 C7 0.2893 -2.6053 0.1139 C.2 1 UNK -0.0595 14 C8 1.4303 2.3219 1.8873 C.2 1 UNK -0.0873 15 C9 -0.9469 -3.1652 -0.5321 C.3 1 UNK 0.0734 16 C10 -2.2022 -2.9973 0.3349 C.3 1 UNK -0.0232 17 C11 -2.7616 -1.5717 0.3180 C.3 1 UNK -0.0504 18 C12 0.5427 3.2126 1.4193 C.2 1 UNK -0.0879 19 C13 -3.9674 -1.3814 1.2439 C.3 1 UNK -0.0532 20 C14 -0.5862 2.8553 0.4969 C.3 1 UNK -0.0344 21 C15 -4.5721 0.0215 1.1766 C.3 1 UNK -0.0559 22 C16 -0.5354 3.5864 -0.8518 C.3 1 UNK -0.0445 23 C17 -1.6960 3.2416 -1.7901 C.3 1 UNK -0.0129 24 C18 -5.7570 0.1601 2.1208 C.3 1 UNK -0.0653 25 C19 -1.7572 1.7787 -2.1722 C.2 1 UNK 0.0418 26 H 3.3608 -3.2804 -0.8818 H 1 UNK 0.2098 27 H1 0.0368 -4.7059 -1.2838 H 1 UNK 0.2102 28 H2 2.3445 -1.6294 1.1199 H 1 UNK 0.0375 29 H3 1.7010 0.9072 -0.4274 H 1 UNK 0.0387 30 H4 3.3925 -1.1791 -1.7046 H 1 UNK 0.0603 31 H5 5.2510 -0.0047 -0.8443 H 1 UNK 0.0367 32 H6 5.2114 -0.7840 0.6655 H 1 UNK 0.0367 33 H7 1.9250 0.3631 2.4375 H 1 UNK 0.0314 34 H8 0.4571 0.5686 1.4094 H 1 UNK 0.0314 35 H9 0.8015 -1.3212 -1.3879 H 1 UNK 0.0574 36 H10 0.5537 -2.9576 1.0472 H 1 UNK 0.0594 37 H11 2.1626 2.6886 2.5152 H 1 UNK 0.0569 38 H12 -1.0983 -2.6301 -1.4462 H 1 UNK 0.0637 39 H13 -1.9552 -3.2536 1.3440 H 1 UNK 0.0293 40 H14 -2.9563 -3.6393 -0.0702 H 1 UNK 0.0293 41 H15 -3.0611 -1.3365 -0.6819 H 1 UNK 0.0266 42 H16 -1.9866 -0.9236 0.6705 H 1 UNK 0.0266 43 H17 0.6417 4.1980 1.7096 H 1 UNK 0.0569 44 H18 -3.6546 -1.5676 2.2501 H 1 UNK 0.0265 45 H19 -4.7236 -2.0661 0.9210 H 1 UNK 0.0265 46 H20 -1.5084 3.1017 0.9803 H 1 UNK 0.0307 47 H21 -0.5013 1.8091 0.2891 H 1 UNK 0.0307 48 H22 -4.9000 0.2118 0.1760 H 1 UNK 0.0263 49 H23 -3.8225 0.7262 1.4706 H 1 UNK 0.0263 50 H24 0.3808 3.3281 -1.3405 H 1 UNK 0.0272 51 H25 -0.6080 4.6328 -0.6402 H 1 UNK 0.0272 52 H26 -1.5904 3.8199 -2.6842 H 1 UNK 0.0325 53 H27 -2.6001 3.4646 -1.2631 H 1 UNK 0.0325 54 H28 -6.5186 -0.5380 1.8422 H 1 UNK 0.0230 55 H29 -6.1461 1.1551 2.0612 H 1 UNK 0.0230 56 H30 -5.4397 -0.0393 3.1230 H 1 UNK 0.0230 @BOND 1 1 8 1 2 2 10 2 3 3 15 1 4 4 25 ar 5 5 25 ar 6 6 7 1 7 6 8 1 8 6 12 1 9 7 10 1 10 7 11 1 11 8 9 1 12 9 10 1 13 11 14 1 14 12 13 2 15 13 15 1 16 14 18 2 17 15 16 1 18 16 17 1 19 17 19 1 20 18 20 1 21 19 21 1 22 20 22 1 23 21 24 1 24 22 23 1 25 23 25 1 26 1 26 1 27 3 27 1 28 6 28 1 29 7 29 1 30 8 30 1 31 9 31 1 32 9 32 1 33 11 33 1 34 11 34 1 35 12 35 1 36 13 36 1 37 14 37 1 38 15 38 1 39 16 39 1 40 16 40 1 41 17 41 1 42 17 42 1 43 18 43 1 44 19 44 1 45 19 45 1 46 20 46 1 47 20 47 1 48 21 48 1 49 21 49 1 50 22 50 1 51 22 51 1 52 23 52 1 53 23 53 1 54 24 54 1 55 24 55 1 56 24 56 1