@MOLECULE FDBD02247 52 54 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.8433 0.3119 4.0585 C.3 1 UNK -0.0440 2 C1 -1.6170 -0.8046 3.0719 C.2 1 UNK -0.0793 3 C2 -0.4309 -0.9827 2.5451 C.2 1 UNK -0.0809 4 C3 0.7072 -0.0711 2.9256 C.3 1 UNK -0.0033 5 C4 2.1076 -0.4481 2.4380 C.3 1 UNK 0.0688 6 C5 2.2433 -1.7025 1.6140 C.2 1 UNK 0.3119 7 O 2.5256 -1.6276 0.4416 O.2 1 UNK -0.2505 8 O1 2.0504 -2.9031 2.1825 O.3 1 UNK -0.4562 9 C6 2.1975 -4.0681 1.3285 C.3 1 UNK 0.1315 10 C7 3.6307 -4.6204 1.4239 C.3 1 UNK 0.0512 11 C8 3.4506 -6.0257 1.9567 C.2 1 UNK 0.1637 12 O2 4.3343 -6.8251 2.1851 O.2 1 UNK -0.2922 13 C9 2.0207 -6.2437 2.1456 C.2 1 UNK 0.0044 14 C10 1.3018 -5.1827 1.8081 C.2 1 UNK -0.0252 15 C11 -0.2007 -5.1013 1.8919 C.3 1 UNK -0.0396 16 C12 1.4285 -7.5285 2.6651 C.3 1 UNK 0.0058 17 C13 1.8789 -8.6959 1.8181 C.2 1 UNK -0.0804 18 C14 2.2413 -9.7047 2.5628 C.2 1 UNK -0.0873 19 C15 2.0932 -9.3783 4.0307 C.3 1 UNK -0.0339 20 C16 1.9699 -7.8377 4.0802 C.3 1 UNK -0.0392 21 C17 1.3707 0.7352 1.8073 C.3 1 UNK -0.0144 22 C18 0.8280 0.5543 0.3883 C.3 1 UNK -0.0585 23 C19 1.8683 2.1410 2.1496 C.3 1 UNK -0.0585 24 C20 -2.7551 -1.7161 2.6914 C.3 1 UNK -0.0440 25 H -0.9296 0.8492 4.2048 H 1 UNK 0.0274 26 H1 -2.1697 -0.0974 4.9917 H 1 UNK 0.0274 27 H2 -2.5912 0.9766 3.6795 H 1 UNK 0.0274 28 H3 -0.2759 -1.7473 1.8695 H 1 UNK 0.0575 29 H4 0.2743 0.1654 3.8751 H 1 UNK 0.0356 30 H5 3.0606 -0.5847 2.9049 H 1 UNK 0.0425 31 H6 1.9544 -3.7638 0.3319 H 1 UNK 0.0786 32 H7 4.2204 -4.0323 2.0956 H 1 UNK 0.0385 33 H8 4.1418 -4.6001 0.4841 H 1 UNK 0.0385 34 H9 -0.5247 -4.1370 1.5602 H 1 UNK 0.0276 35 H10 -0.5101 -5.2526 2.9050 H 1 UNK 0.0276 36 H11 -0.6340 -5.8566 1.2701 H 1 UNK 0.0276 37 H12 0.3656 -7.4059 2.6550 H 1 UNK 0.0392 38 H13 1.8975 -8.6956 0.7863 H 1 UNK 0.0575 39 H14 2.5840 -10.6068 2.1971 H 1 UNK 0.0569 40 H15 2.9520 -9.7058 4.5785 H 1 UNK 0.0308 41 H16 1.2486 -9.8662 4.4705 H 1 UNK 0.0308 42 H17 1.2835 -7.5243 4.8388 H 1 UNK 0.0277 43 H18 2.8831 -7.3335 4.3187 H 1 UNK 0.0277 44 H19 0.5090 -0.4583 0.2548 H 1 UNK 0.0235 45 H20 1.5974 0.7821 -0.3196 H 1 UNK 0.0235 46 H21 -0.0019 1.2126 0.2372 H 1 UNK 0.0235 47 H22 2.2240 2.1576 3.1586 H 1 UNK 0.0235 48 H23 1.0648 2.8395 2.0432 H 1 UNK 0.0235 49 H24 2.6641 2.4090 1.4864 H 1 UNK 0.0235 50 H25 -3.6393 -1.4211 3.2169 H 1 UNK 0.0274 51 H26 -2.5063 -2.7242 2.9497 H 1 UNK 0.0274 52 H27 -2.9278 -1.6502 1.6375 H 1 UNK 0.0274 @BOND 1 1 2 1 2 2 3 2 3 2 24 1 4 3 4 1 5 4 21 1 6 4 5 1 7 5 6 1 8 5 21 1 9 6 7 2 10 6 8 1 11 8 9 1 12 9 14 1 13 9 10 1 14 10 11 1 15 11 12 2 16 11 13 1 17 13 14 2 18 13 16 1 19 14 15 1 20 16 20 1 21 16 17 1 22 17 18 2 23 18 19 1 24 19 20 1 25 21 22 1 26 21 23 1 27 1 25 1 28 1 26 1 29 1 27 1 30 3 28 1 31 4 29 1 32 5 30 1 33 9 31 1 34 10 32 1 35 10 33 1 36 15 34 1 37 15 35 1 38 15 36 1 39 16 37 1 40 17 38 1 41 18 39 1 42 19 40 1 43 19 41 1 44 20 42 1 45 20 43 1 46 22 44 1 47 22 45 1 48 22 46 1 49 23 47 1 50 23 48 1 51 23 49 1 52 24 50 1 53 24 51 1 54 24 52 1