@MOLECULE FDBD02982 52 54 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0184 1.5028 0.0103 C.3 1 UNK -0.0382 2 C1 0.0021 -0.0041 0.0020 C.2 1 UNK -0.0194 3 C2 0.0061 -0.6953 -1.1674 C.2 1 UNK 0.0948 4 C3 -0.0099 0.0426 -2.4813 C.3 1 UNK -0.0271 5 C4 0.0259 -2.1051 -1.1487 C.2 1 UNK 0.4844 6 O 0.0292 -2.7126 -2.2043 O.2 1 UNK -0.1907 7 O1 0.0414 -2.7947 0.0027 O.3 1 UNK -0.5178 8 C5 0.0385 -2.1689 1.1992 C.ar 1 UNK 0.2776 9 C6 0.0548 -2.8966 2.3797 C.ar 1 UNK 0.0763 10 C7 0.0513 -2.2344 3.5963 C.ar 1 UNK 0.1297 11 C8 0.0311 -0.8417 3.6445 C.ar 1 UNK -0.0188 12 C9 0.0149 -0.1103 2.4926 C.ar 1 UNK -0.0422 13 C10 0.0243 -0.7628 1.2543 C.ar 1 UNK 0.0743 14 O2 0.0673 -2.9478 4.7511 O.3 1 UNK -0.4871 15 C11 0.0627 -2.2057 5.9722 C.3 1 UNK 0.1152 16 C12 0.0822 -3.1588 7.1394 C.ar 1 UNK -0.0025 17 C13 0.1064 -4.5212 6.9192 C.ar 1 UNK -0.0548 18 C14 0.1248 -5.3971 7.9894 C.ar 1 UNK -0.0614 19 C15 0.1190 -4.9140 9.2858 C.ar 1 UNK -0.0612 20 C16 0.0943 -3.5540 9.5179 C.ar 1 UNK -0.0535 21 C17 0.0815 -2.6663 8.4430 C.ar 1 UNK -0.0067 22 C18 0.0556 -1.2035 8.6860 C.2 1 UNK 0.0382 23 C19 1.1786 -0.5645 9.1000 C.2 1 UNK 0.0937 24 O3 2.3171 -1.2587 9.2902 O.2 1 UNK -0.5019 25 C20 3.4795 -0.5099 9.7335 C.3 1 UNK 0.0780 26 C21 -1.1837 -0.4479 8.4790 C.2 1 UNK 0.0272 27 O4 -1.2050 0.7516 8.6783 O.co2 1 UNK -0.8003 28 O5 -2.3000 -1.0831 8.0675 O.2 1 UNK -0.5147 29 C22 -3.4901 -0.2718 7.8833 C.3 1 UNK 0.0766 30 H -0.0185 1.8539 1.0210 H 1 UNK 0.0278 31 H1 -0.8992 1.8503 -0.4881 H 1 UNK 0.0278 32 H2 0.8479 1.8741 -0.4962 H 1 UNK 0.0278 33 H3 -0.0239 1.0967 -2.2982 H 1 UNK 0.0282 34 H4 -0.8822 -0.2347 -3.0355 H 1 UNK 0.0282 35 H5 0.8650 -0.2103 -3.0431 H 1 UNK 0.0282 36 H6 0.0545 -3.7312 -0.0244 H 1 UNK 0.5656 37 H7 0.0695 -3.9281 2.3518 H 1 UNK 0.0746 38 H8 0.0284 -0.3604 4.5574 H 1 UNK 0.0654 39 H9 -0.0042 0.9207 2.5343 H 1 UNK 0.0628 40 H10 -0.8195 -1.6020 6.0194 H 1 UNK 0.0748 41 H11 0.9276 -1.5769 6.0107 H 1 UNK 0.0748 42 H12 0.1108 -4.8869 5.9542 H 1 UNK 0.0622 43 H13 0.1429 -6.4150 7.8203 H 1 UNK 0.0618 44 H14 0.1332 -5.5720 10.0807 H 1 UNK 0.0618 45 H15 0.0853 -3.1947 10.4853 H 1 UNK 0.0624 46 H16 1.1605 0.4534 9.2692 H 1 UNK 0.1030 47 H17 4.3105 -1.1746 9.8453 H 1 UNK 0.0660 48 H18 3.2666 -0.0439 10.6728 H 1 UNK 0.0660 49 H19 3.7179 0.2405 9.0090 H 1 UNK 0.0660 50 H20 -4.2983 -0.8929 7.5578 H 1 UNK 0.0659 51 H21 -3.2988 0.4799 7.1463 H 1 UNK 0.0659 52 H22 -3.7502 0.1954 8.8101 H 1 UNK 0.0659 @BOND 1 1 2 1 2 2 13 1 3 2 3 2 4 3 4 1 5 3 5 1 6 5 6 2 7 5 7 1 8 7 8 1 9 8 13 ar 10 8 9 ar 11 9 10 ar 12 10 11 ar 13 10 14 1 14 11 12 ar 15 12 13 ar 16 14 15 1 17 15 16 1 18 16 21 ar 19 16 17 ar 20 17 18 ar 21 18 19 ar 22 19 20 ar 23 20 21 ar 24 21 22 1 25 22 23 0 26 22 26 2 27 23 24 2 28 24 25 1 29 26 27 0 30 26 28 1 31 28 29 1 32 1 30 1 33 1 31 1 34 1 32 1 35 4 33 1 36 4 34 1 37 4 35 1 38 7 36 1 39 9 37 1 40 11 38 1 41 12 39 1 42 15 40 1 43 15 41 1 44 17 42 1 45 18 43 1 46 19 44 1 47 20 45 1 48 23 46 1 49 25 47 1 50 25 48 1 51 25 49 1 52 29 50 1 53 29 51 1 54 29 52 1