@MOLECULE FDBD02316 57 59 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.9741 0.4126 -2.7922 C.3 1 UNK -0.0397 2 C1 -0.7116 -0.9230 -2.1454 C.ar 1 UNK -0.0499 3 C2 -0.5731 -2.0534 -2.9306 C.ar 1 UNK -0.0553 4 C3 -0.3322 -3.2791 -2.3439 C.ar 1 UNK -0.0421 5 C4 -0.1811 -4.5096 -3.2007 C.3 1 UNK -0.0391 6 C5 -0.2284 -3.3766 -0.9574 C.ar 1 UNK -0.0068 7 C6 -0.3688 -2.2342 -0.1712 C.ar 1 UNK -0.0421 8 C7 -0.2574 -2.3315 1.3285 C.3 1 UNK -0.0391 9 C8 -0.6043 -1.0130 -0.7692 C.ar 1 UNK -0.0553 10 C9 0.0300 -4.6910 -0.3209 C.2 1 UNK 0.0463 11 C10 1.2549 -5.1919 -0.0168 C.2 1 UNK 0.1616 12 C11 1.0167 -6.5406 0.6094 C.3 1 UNK 0.1659 13 C12 1.7122 -7.6439 -0.2048 C.3 1 UNK -0.0057 14 C13 3.0463 -7.8830 0.5475 C.3 1 UNK -0.0489 15 C14 2.6337 -7.7361 2.0337 C.3 1 UNK -0.0489 16 C15 1.5971 -6.5917 2.0280 C.3 1 UNK -0.0057 17 O -0.4175 -6.7443 0.6285 O.2 1 UNK -0.4976 18 C16 -0.9955 -5.6543 0.0862 C.2 1 UNK 0.0295 19 O1 -2.1932 -5.4968 -0.0519 O.co2 1 UNK -0.8003 20 O2 2.4475 -4.5997 -0.2330 O.3 1 UNK -0.4255 21 C17 3.1220 -4.9703 -1.3350 C.2 1 UNK 0.3127 22 O3 2.6153 -5.7294 -2.1267 O.2 1 UNK -0.2504 23 C18 4.5103 -4.4391 -1.5831 C.3 1 UNK 0.0502 24 C19 5.0487 -5.0121 -2.8955 C.3 1 UNK -0.0277 25 C20 4.1308 -4.5980 -4.0474 C.3 1 UNK -0.0596 26 C21 6.4581 -4.4727 -3.1474 C.3 1 UNK -0.0596 27 C22 5.0956 -6.5387 -2.8043 C.3 1 UNK -0.0596 28 H -1.0518 1.1659 -2.0362 H 1 UNK 0.0278 29 H1 -1.8886 0.3672 -3.3458 H 1 UNK 0.0278 30 H2 -0.1683 0.6530 -3.4538 H 1 UNK 0.0278 31 H3 -0.6501 -1.9800 -3.9571 H 1 UNK 0.0623 32 H4 -0.2907 -4.2425 -4.2310 H 1 UNK 0.0278 33 H5 -0.9327 -5.2234 -2.9354 H 1 UNK 0.0278 34 H6 0.7874 -4.9366 -3.0440 H 1 UNK 0.0278 35 H7 -0.0753 -3.3483 1.6074 H 1 UNK 0.0278 36 H8 -1.1697 -1.9967 1.7764 H 1 UNK 0.0278 37 H9 0.5518 -1.7185 1.6666 H 1 UNK 0.0278 38 H10 -0.7005 -0.1653 -0.1886 H 1 UNK 0.0623 39 H11 1.8944 -7.3185 -1.2077 H 1 UNK 0.0308 40 H12 1.1201 -8.5316 -0.2842 H 1 UNK 0.0308 41 H13 3.7781 -7.1509 0.2765 H 1 UNK 0.0267 42 H14 3.4950 -8.8283 0.3240 H 1 UNK 0.0267 43 H15 3.4784 -7.4799 2.6385 H 1 UNK 0.0267 44 H16 2.2398 -8.6437 2.4412 H 1 UNK 0.0267 45 H17 0.8219 -6.7910 2.7381 H 1 UNK 0.0308 46 H18 2.0474 -5.6590 2.2968 H 1 UNK 0.0308 47 H19 5.1522 -4.7287 -0.7775 H 1 UNK 0.0383 48 H20 4.4775 -3.3715 -1.6469 H 1 UNK 0.0383 49 H21 4.0980 -3.5304 -4.1112 H 1 UNK 0.0235 50 H22 3.1451 -4.9752 -3.8713 H 1 UNK 0.0235 51 H23 4.5074 -4.9987 -4.9653 H 1 UNK 0.0235 52 H24 6.4253 -3.4051 -3.2112 H 1 UNK 0.0235 53 H25 6.8346 -4.8734 -4.0653 H 1 UNK 0.0235 54 H26 7.1001 -4.7623 -2.3419 H 1 UNK 0.0235 55 H27 4.1099 -6.9159 -2.6281 H 1 UNK 0.0235 56 H28 5.7376 -6.8283 -1.9988 H 1 UNK 0.0235 57 H29 5.4721 -6.9394 -3.7222 H 1 UNK 0.0235 @BOND 1 1 2 1 2 2 9 ar 3 2 3 ar 4 3 4 ar 5 4 5 1 6 4 6 ar 7 6 7 ar 8 6 10 1 9 7 8 1 10 7 9 ar 11 10 18 2 12 10 11 0 13 11 12 1 14 11 20 2 15 12 16 1 16 12 13 1 17 12 17 1 18 13 14 1 19 14 15 1 20 15 16 1 21 17 18 1 22 18 19 0 23 20 21 1 24 21 22 2 25 21 23 1 26 23 24 1 27 24 25 1 28 24 26 1 29 24 27 1 30 1 28 1 31 1 29 1 32 1 30 1 33 3 31 1 34 5 32 1 35 5 33 1 36 5 34 1 37 8 35 1 38 8 36 1 39 8 37 1 40 9 38 1 41 13 39 1 42 13 40 1 43 14 41 1 44 14 42 1 45 15 43 1 46 15 44 1 47 16 45 1 48 16 46 1 49 23 47 1 50 23 48 1 51 25 49 1 52 25 50 1 53 25 51 1 54 26 52 1 55 26 53 1 56 26 54 1 57 27 55 1 58 27 56 1 59 27 57 1