@MOLECULE FDBD01204 55 57 0 0 0 SMALL USER_CHARGES @ATOM 1 N 5.2313 -1.2935 -0.5008 N.pl3 1 UNK -0.3260 2 N1 6.7273 1.2676 -0.3384 N.4 1 UNK 0.2349 3 C 4.1641 -1.1646 0.4811 C.3 1 UNK 0.0315 4 C1 2.7681 -1.1591 -0.1976 C.3 1 UNK -0.0085 5 C2 4.3556 0.1789 1.2299 C.3 1 UNK -0.0085 6 C3 2.3504 0.2984 -0.0992 C.ar 1 UNK -0.0424 7 C4 3.2259 1.0359 0.6864 C.ar 1 UNK -0.0424 8 C5 4.9959 -0.9021 -1.8822 C.3 1 UNK 0.0173 9 C6 5.0375 0.6322 -2.0135 C.3 1 UNK 0.0032 10 C7 6.4275 -1.8146 -0.1383 C.ar 1 UNK 0.0299 11 C8 1.2407 0.8955 -0.6994 C.ar 1 UNK -0.0583 12 C9 3.0292 2.4005 0.9032 C.ar 1 UNK -0.0583 13 C10 6.4754 1.1315 -1.7801 C.3 1 UNK -0.0305 14 C11 1.0390 2.2639 -0.4909 C.ar 1 UNK -0.0615 15 C12 1.9229 3.0076 0.3000 C.ar 1 UNK -0.0615 16 C13 7.4596 -1.9371 -1.0741 C.ar 1 UNK -0.0407 17 C14 6.6482 -2.2325 1.1781 C.ar 1 UNK -0.0407 18 C15 8.1647 1.0763 -0.0928 C.3 1 UNK -0.0348 19 C16 6.3063 2.6099 0.0934 C.3 1 UNK -0.0348 20 C17 8.7054 -2.4429 -0.6947 C.ar 1 UNK -0.0600 21 C18 7.8897 -2.7463 1.5610 C.ar 1 UNK -0.0600 22 C19 8.3839 0.4939 1.3159 C.3 1 UNK -0.0245 23 C20 6.1989 2.6748 1.6289 C.3 1 UNK -0.0245 24 C21 8.9223 -2.8451 0.6254 C.ar 1 UNK -0.0616 25 H 6.2014 0.5700 0.1881 H 1 UNK 0.2033 26 H1 4.2097 -1.9978 1.1509 H 1 UNK 0.0506 27 H2 2.0827 -1.7924 0.3259 H 1 UNK 0.0331 28 H3 2.7844 -1.5277 -1.2020 H 1 UNK 0.0331 29 H4 5.3084 0.6115 1.0064 H 1 UNK 0.0331 30 H5 4.3323 0.0756 2.2946 H 1 UNK 0.0331 31 H6 4.0353 -1.2576 -2.1917 H 1 UNK 0.0466 32 H7 5.7587 -1.3268 -2.5008 H 1 UNK 0.0466 33 H8 4.3861 1.0697 -1.2861 H 1 UNK 0.0332 34 H9 4.7184 0.9137 -2.9952 H 1 UNK 0.0332 35 H10 0.5889 0.3442 -1.2793 H 1 UNK 0.0620 36 H11 3.6801 2.9449 1.4906 H 1 UNK 0.0620 37 H12 7.1672 0.4296 -2.1969 H 1 UNK 0.0815 38 H13 6.5997 2.0838 -2.2519 H 1 UNK 0.0815 39 H14 0.2281 2.7313 -0.9257 H 1 UNK 0.0618 40 H15 1.7561 4.0164 0.4397 H 1 UNK 0.0618 41 H16 7.2996 -1.6515 -2.0528 H 1 UNK 0.0636 42 H17 5.8878 -2.1607 1.8722 H 1 UNK 0.0636 43 H18 8.6659 2.0186 -0.1689 H 1 UNK 0.0812 44 H19 8.5585 0.3969 -0.8196 H 1 UNK 0.0812 45 H20 5.3523 2.8347 -0.3360 H 1 UNK 0.0812 46 H21 7.0351 3.3223 -0.2326 H 1 UNK 0.0812 47 H22 9.4649 -2.5194 -1.3892 H 1 UNK 0.0618 48 H23 8.0438 -3.0526 2.5344 H 1 UNK 0.0618 49 H24 7.9916 1.1701 2.0464 H 1 UNK 0.0281 50 H25 9.4312 0.3543 1.4851 H 1 UNK 0.0281 51 H26 7.8813 -0.4474 1.3949 H 1 UNK 0.0281 52 H27 5.4720 1.9656 1.9659 H 1 UNK 0.0281 53 H28 5.9006 3.6590 1.9243 H 1 UNK 0.0281 54 H29 7.1495 2.4449 2.0630 H 1 UNK 0.0281 55 H30 9.8433 -3.2144 0.9088 H 1 UNK 0.0618 @BOND 1 1 3 1 2 8 1 1 3 1 10 1 4 13 2 1 5 2 18 1 6 2 19 1 7 3 4 1 8 3 5 1 9 4 6 1 10 5 7 1 11 7 6 ar 12 6 11 ar 13 7 12 ar 14 9 8 1 15 9 13 1 16 10 16 ar 17 10 17 ar 18 11 14 ar 19 12 15 ar 20 14 15 ar 21 16 20 ar 22 17 21 ar 23 18 22 1 24 19 23 1 25 20 24 ar 26 21 24 ar 27 2 25 1 28 3 26 1 29 4 27 1 30 4 28 1 31 5 29 1 32 5 30 1 33 8 31 1 34 8 32 1 35 9 33 1 36 9 34 1 37 11 35 1 38 12 36 1 39 13 37 1 40 13 38 1 41 14 39 1 42 15 40 1 43 16 41 1 44 17 42 1 45 18 43 1 46 18 44 1 47 19 45 1 48 19 46 1 49 20 47 1 50 21 48 1 51 22 49 1 52 22 50 1 53 22 51 1 54 23 52 1 55 23 53 1 56 23 54 1 57 24 55 1