@MOLECULE FDBD01998 55 56 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.8645 1.2259 -0.4052 C.3 1 UNK -0.0397 2 C1 -0.1963 -0.1165 -0.2550 C.ar 1 UNK -0.0495 3 C2 0.5492 -0.6370 -1.2979 C.ar 1 UNK -0.0559 4 C3 1.1663 -1.8685 -1.1680 C.ar 1 UNK -0.0495 5 C4 1.9763 -2.4277 -2.3092 C.3 1 UNK -0.0397 6 C5 1.0421 -2.5855 0.0040 C.ar 1 UNK -0.0466 7 C6 0.2915 -2.0662 1.0600 C.ar 1 UNK 0.0389 8 C7 -0.3245 -0.8210 0.9241 C.ar 1 UNK -0.0466 9 C8 0.1537 -2.8293 2.3187 C.2 1 UNK 0.2632 10 O 0.0746 -4.0419 2.2887 O.2 1 UNK -0.2684 11 N 0.1157 -2.1805 3.4994 N.am 1 UNK -0.2108 12 C9 -0.1369 -2.9242 4.7361 C.3 1 UNK 0.0482 13 C10 0.9545 -3.9789 4.9289 C.3 1 UNK -0.0423 14 C11 -0.1282 -1.9585 5.9228 C.3 1 UNK -0.0423 15 C12 -1.5009 -3.6118 4.6481 C.3 1 UNK -0.0423 16 N1 0.3177 -0.7949 3.5441 N.am 1 UNK -0.2270 17 C13 -0.7228 0.0309 3.7721 C.2 1 UNK 0.2607 18 O1 -1.8365 -0.4266 3.9389 O.2 1 UNK -0.2686 19 C14 -0.5095 1.4932 3.8192 C.ar 1 UNK 0.0445 20 C15 0.7402 2.0294 3.5037 C.ar 1 UNK -0.0491 21 C16 0.9357 3.3944 3.5488 C.ar 1 UNK -0.0576 22 C17 -0.1030 4.2346 3.9058 C.ar 1 UNK -0.0197 23 C18 -1.3490 3.7106 4.2217 C.ar 1 UNK 0.1237 24 C19 -1.5579 2.3424 4.1736 C.ar 1 UNK 0.0033 25 C20 -2.9099 1.7717 4.5162 C.3 1 UNK -0.0355 26 O2 -2.3659 4.5411 4.5728 O.3 1 UNK -0.4948 27 C21 -2.0816 5.9413 4.5957 C.3 1 UNK 0.0788 28 H -0.1832 2.0099 -0.0747 H 1 UNK 0.0278 29 H1 -1.1242 1.3875 -1.4514 H 1 UNK 0.0278 30 H2 -1.7694 1.2513 0.2019 H 1 UNK 0.0278 31 H3 0.6496 -0.0797 -2.2176 H 1 UNK 0.0623 32 H4 3.0122 -2.1022 -2.2133 H 1 UNK 0.0278 33 H5 1.9340 -3.5166 -2.2855 H 1 UNK 0.0278 34 H6 1.5687 -2.0687 -3.2542 H 1 UNK 0.0278 35 H7 1.5243 -3.5467 0.1041 H 1 UNK 0.0628 36 H8 -0.9066 -0.4136 1.7375 H 1 UNK 0.0628 37 H9 1.9262 -3.4891 4.9915 H 1 UNK 0.0251 38 H10 0.7666 -4.5323 5.8490 H 1 UNK 0.0251 39 H11 0.9483 -4.6669 4.0835 H 1 UNK 0.0251 40 H12 -0.9058 -1.2070 5.7854 H 1 UNK 0.0251 41 H13 -0.3162 -2.5118 6.8429 H 1 UNK 0.0251 42 H14 0.8435 -1.4686 5.9854 H 1 UNK 0.0251 43 H15 -1.5071 -4.2998 3.8027 H 1 UNK 0.0251 44 H16 -1.6888 -4.1651 5.5683 H 1 UNK 0.0251 45 H17 -2.2784 -2.8604 4.5108 H 1 UNK 0.0251 46 H18 1.2065 -0.4298 3.4110 H 1 UNK 0.1734 47 H19 1.5536 1.3760 3.2248 H 1 UNK 0.0625 48 H20 1.9031 3.8080 3.3048 H 1 UNK 0.0619 49 H21 0.0559 5.3023 3.9394 H 1 UNK 0.0654 50 H22 -3.4740 1.5985 3.5997 H 1 UNK 0.0279 51 H23 -2.7822 0.8288 5.0479 H 1 UNK 0.0279 52 H24 -3.4515 2.4750 5.1487 H 1 UNK 0.0279 53 H25 -1.7687 6.2648 3.6029 H 1 UNK 0.0660 54 H26 -2.9765 6.4890 4.8911 H 1 UNK 0.0660 55 H27 -1.2826 6.1382 5.3105 H 1 UNK 0.0660 @BOND 1 1 2 1 2 1 28 1 3 1 29 1 4 1 30 1 5 2 8 ar 6 2 3 ar 7 3 4 ar 8 3 31 1 9 4 5 1 10 4 6 ar 11 5 32 1 12 5 33 1 13 5 34 1 14 6 7 ar 15 6 35 1 16 7 8 ar 17 7 9 1 18 8 36 1 19 9 10 2 20 9 11 am 21 11 12 1 22 11 16 1 23 12 13 1 24 12 14 1 25 12 15 1 26 13 37 1 27 13 38 1 28 13 39 1 29 14 40 1 30 14 41 1 31 14 42 1 32 15 43 1 33 15 44 1 34 15 45 1 35 16 17 am 36 16 46 1 37 17 18 2 38 17 19 1 39 19 24 ar 40 19 20 ar 41 20 21 ar 42 20 47 1 43 21 22 ar 44 21 48 1 45 22 23 ar 46 22 49 1 47 23 24 ar 48 23 26 1 49 24 25 1 50 25 50 1 51 25 51 1 52 25 52 1 53 26 27 1 54 27 53 1 55 27 54 1 56 27 55 1