@MOLECULE FDBD02315 54 56 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.6668 1.9847 1.2445 C.3 1 UNK -0.0305 2 C1 -3.5180 0.5193 1.6583 C.3 1 UNK 0.0931 3 O -3.2283 -0.2876 0.4864 O.3 1 UNK -0.4338 4 C2 -3.0673 -1.6093 0.6794 C.2 1 UNK 0.5154 5 O1 -3.1659 -2.0763 1.7959 O.2 1 UNK -0.2025 6 O2 -2.7968 -2.4143 -0.3657 O.3 1 UNK -0.3960 7 C3 -2.7668 -3.7433 -0.1245 C.2 1 UNK 0.1524 8 C4 -1.6726 -4.5397 -0.0692 C.2 1 UNK 0.0840 9 C5 -0.2728 -4.0938 -0.2674 C.ar 1 UNK -0.0063 10 C6 0.4147 -3.4645 0.7697 C.ar 1 UNK -0.0506 11 C7 1.7176 -3.0521 0.5796 C.ar 1 UNK -0.0499 12 C8 2.4622 -2.3723 1.6997 C.3 1 UNK -0.0397 13 C9 2.3420 -3.2618 -0.6371 C.ar 1 UNK -0.0586 14 C10 1.6650 -3.8855 -1.6695 C.ar 1 UNK -0.0580 15 C11 0.3632 -4.3071 -1.4893 C.ar 1 UNK -0.0425 16 C12 -0.3729 -4.9869 -2.6150 C.3 1 UNK -0.0391 17 C13 -2.0963 -5.9164 0.2191 C.2 1 UNK 0.2200 18 N -3.3884 -5.9889 0.3401 N.2 1 UNK -0.2357 19 C14 -3.9457 -4.6476 0.1459 C.3 1 UNK 0.1238 20 C15 -4.6848 -4.1961 1.4039 C.3 1 UNK -0.0181 21 C16 -5.8637 -5.1357 1.6680 C.3 1 UNK -0.0240 22 C17 -6.8137 -5.1102 0.4689 C.3 1 UNK 0.0585 23 C18 -6.0690 -5.5757 -0.7839 C.3 1 UNK -0.0240 24 C19 -4.8904 -4.6374 -1.0542 C.3 1 UNK -0.0181 25 O3 -7.9179 -5.9826 0.7177 O.3 1 UNK -0.3798 26 C20 -9.1320 -5.5795 0.0809 C.3 1 UNK 0.0368 27 O4 -1.2542 -6.9682 0.3419 O.2 1 UNK -0.4921 28 H -3.8803 2.5793 2.1081 H 1 UNK 0.0262 29 H1 -4.4677 2.0771 0.5410 H 1 UNK 0.0262 30 H2 -2.7565 2.3226 0.7950 H 1 UNK 0.0262 31 H3 -4.4283 0.1814 2.1078 H 1 UNK 0.0696 32 H4 -2.7171 0.4269 2.3618 H 1 UNK 0.0696 33 H5 -0.0500 -3.3075 1.6777 H 1 UNK 0.0626 34 H6 1.8261 -2.2970 2.5568 H 1 UNK 0.0278 35 H7 2.7583 -1.3924 1.3881 H 1 UNK 0.0278 36 H8 3.3309 -2.9448 1.9495 H 1 UNK 0.0278 37 H9 3.3166 -2.9517 -0.7749 H 1 UNK 0.0620 38 H10 2.1342 -4.0359 -2.5763 H 1 UNK 0.0620 39 H11 -1.3613 -5.2404 -2.2930 H 1 UNK 0.0278 40 H12 0.1498 -5.8770 -2.8967 H 1 UNK 0.0278 41 H13 -0.4298 -4.3259 -3.4545 H 1 UNK 0.0278 42 H14 -5.0475 -3.1989 1.2659 H 1 UNK 0.0294 43 H15 -4.0157 -4.2201 2.2386 H 1 UNK 0.0294 44 H16 -6.3867 -4.8144 2.5444 H 1 UNK 0.0291 45 H17 -5.5007 -6.1315 1.8147 H 1 UNK 0.0291 46 H18 -7.1723 -4.1131 0.3201 H 1 UNK 0.0596 47 H19 -6.7354 -5.5617 -1.6209 H 1 UNK 0.0291 48 H20 -5.7058 -6.5710 -0.6341 H 1 UNK 0.0291 49 H21 -4.3640 -4.9677 -1.9252 H 1 UNK 0.0294 50 H22 -5.2546 -3.6439 -1.2129 H 1 UNK 0.0294 51 H23 -9.9067 -6.2797 0.3143 H 1 UNK 0.0524 52 H24 -8.9860 -5.5492 -0.9787 H 1 UNK 0.0524 53 H25 -9.4124 -4.6078 0.4302 H 1 UNK 0.0524 54 H26 -0.3309 -6.8433 0.2420 H 1 UNK 0.2937 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 2 5 4 6 1 6 6 7 1 7 7 19 1 8 7 8 2 9 8 9 1 10 8 17 1 11 9 15 ar 12 9 10 ar 13 10 11 ar 14 11 12 1 15 11 13 ar 16 13 14 ar 17 14 15 ar 18 15 16 1 19 17 18 2 20 17 27 1 21 18 19 1 22 19 24 1 23 19 20 1 24 20 21 1 25 21 22 1 26 22 23 1 27 22 25 1 28 23 24 1 29 25 26 1 30 1 28 1 31 1 29 1 32 1 30 1 33 2 31 1 34 2 32 1 35 10 33 1 36 12 34 1 37 12 35 1 38 12 36 1 39 13 37 1 40 14 38 1 41 16 39 1 42 16 40 1 43 16 41 1 44 20 42 1 45 20 43 1 46 21 44 1 47 21 45 1 48 22 46 1 49 23 47 1 50 23 48 1 51 24 49 1 52 24 50 1 53 26 51 1 54 26 52 1 55 26 53 1 56 27 54 1