@MOLECULE FDBD02241 55 58 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.0131 1.5093 -0.3337 C.3 1 UNK -0.0585 2 C1 0.0186 -0.0127 -0.1769 C.3 1 UNK -0.0144 3 C2 -1.2105 -0.6095 0.5115 C.3 1 UNK -0.0585 4 C3 0.6761 -0.8349 -1.2871 C.3 1 UNK -0.0033 5 C4 0.0630 -2.1708 -1.6197 C.2 1 UNK -0.0803 6 C5 -0.3896 -2.4013 -2.8272 C.2 1 UNK -0.0731 7 C6 -0.3640 -1.4343 -3.9976 C.3 1 UNK -0.0317 8 C7 -0.4198 -2.3431 -5.2506 C.3 1 UNK -0.0491 9 C8 -1.3872 -3.4675 -4.8012 C.3 1 UNK -0.0491 10 C9 -1.0294 -3.6840 -3.3161 C.3 1 UNK -0.0317 11 C10 1.3667 -0.6925 0.0707 C.3 1 UNK 0.0688 12 C11 2.5879 0.1878 0.1413 C.2 1 UNK 0.3116 13 O 2.9588 0.7862 -0.8407 O.2 1 UNK -0.2505 14 O1 3.2634 0.3071 1.2950 O.3 1 UNK -0.4595 15 C12 4.4298 1.1720 1.2896 C.3 1 UNK 0.1204 16 C13 5.0543 1.1817 2.6610 C.ar 1 UNK 0.0277 17 C14 4.7467 2.0657 3.7207 C.ar 1 UNK -0.0140 18 C15 5.5336 1.7219 4.7560 C.ar 1 UNK 0.1095 19 C16 5.5545 2.3895 6.1069 C.3 1 UNK 0.0307 20 C17 4.5629 1.7122 7.0173 C.ar 1 UNK -0.0401 21 C18 3.2552 2.1576 7.0685 C.ar 1 UNK -0.0582 22 C19 2.3456 1.5363 7.9036 C.ar 1 UNK -0.0615 23 C20 2.7435 0.4693 8.6873 C.ar 1 UNK -0.0617 24 C21 4.0509 0.0234 8.6355 C.ar 1 UNK -0.0615 25 C22 4.9595 0.6419 7.7971 C.ar 1 UNK -0.0582 26 O2 6.2972 0.6824 4.3817 O.2 1 UNK -0.4671 27 C23 6.0072 0.3473 3.1139 C.ar 1 UNK 0.0985 28 H -0.4750 1.9529 0.5088 H 1 UNK 0.0235 29 H1 -0.5099 1.7737 -1.2289 H 1 UNK 0.0235 30 H2 1.0204 1.8656 -0.3907 H 1 UNK 0.0235 31 H3 -1.5636 0.0677 1.2609 H 1 UNK 0.0235 32 H4 -0.9467 -1.5406 0.9680 H 1 UNK 0.0235 33 H5 -1.9808 -0.7730 -0.2129 H 1 UNK 0.0235 34 H6 0.9570 -0.6482 -2.3025 H 1 UNK 0.0356 35 H7 -0.0003 -2.9040 -0.8962 H 1 UNK 0.0575 36 H8 0.5354 -0.8548 -3.9901 H 1 UNK 0.0310 37 H9 -1.1726 -0.7343 -3.9656 H 1 UNK 0.0310 38 H10 0.5469 -2.7357 -5.4878 H 1 UNK 0.0268 39 H11 -0.7379 -1.8330 -6.1357 H 1 UNK 0.0268 40 H12 -1.2238 -4.3606 -5.3674 H 1 UNK 0.0268 41 H13 -2.4161 -3.2130 -4.9475 H 1 UNK 0.0268 42 H14 -1.9137 -3.8929 -2.7511 H 1 UNK 0.0310 43 H15 -0.3635 -4.5134 -3.1992 H 1 UNK 0.0310 44 H16 1.7475 -1.3747 0.8018 H 1 UNK 0.0425 45 H17 4.1355 2.1660 1.0247 H 1 UNK 0.0750 46 H18 5.1401 0.8084 0.5768 H 1 UNK 0.0750 47 H19 4.0517 2.8284 3.7032 H 1 UNK 0.0656 48 H20 5.2926 3.4213 5.9989 H 1 UNK 0.0392 49 H21 6.5353 2.3126 6.5276 H 1 UNK 0.0392 50 H22 2.9581 2.9540 6.4832 H 1 UNK 0.0620 51 H23 1.3695 1.8690 7.9420 H 1 UNK 0.0618 52 H24 2.0645 0.0057 9.3110 H 1 UNK 0.0618 53 H25 4.3487 -0.7713 9.2227 H 1 UNK 0.0618 54 H26 5.9338 0.3046 7.7534 H 1 UNK 0.0620 55 H27 6.4417 -0.4202 2.5780 H 1 UNK 0.1033 @BOND 1 1 2 1 2 2 11 1 3 2 3 1 4 2 4 1 5 4 5 1 6 4 11 1 7 5 6 2 8 6 10 1 9 6 7 1 10 7 8 1 11 8 9 1 12 9 10 1 13 11 12 1 14 12 13 2 15 12 14 1 16 14 15 1 17 15 16 1 18 16 27 ar 19 16 17 ar 20 17 18 ar 21 18 19 1 22 18 26 ar 23 19 20 1 24 20 25 ar 25 20 21 ar 26 21 22 ar 27 22 23 ar 28 23 24 ar 29 24 25 ar 30 26 27 ar 31 1 28 1 32 1 29 1 33 1 30 1 34 3 31 1 35 3 32 1 36 3 33 1 37 4 34 1 38 5 35 1 39 7 36 1 40 7 37 1 41 8 38 1 42 8 39 1 43 9 40 1 44 9 41 1 45 10 42 1 46 10 43 1 47 11 44 1 48 15 45 1 49 15 46 1 50 17 47 1 51 19 48 1 52 19 49 1 53 21 50 1 54 22 51 1 55 23 52 1 56 24 53 1 57 25 54 1 58 27 55 1