@MOLECULE FDBD01266 49 50 0 0 0 SMALL GASTEIGER @ATOM 1 N 0.0087 2.2136 -0.2737 N.4 1 UNK 0.2351 2 C 0.3561 1.4345 -1.4563 C.3 1 UNK -0.0316 3 C1 -1.3412 2.7661 -0.3987 C.3 1 UNK -0.0316 4 C2 1.7410 0.8103 -1.2925 C.3 1 UNK -0.0085 5 C3 -2.3552 1.6450 -0.6206 C.3 1 UNK -0.0085 6 C4 0.9794 3.2886 -0.0612 C.3 1 UNK -0.0348 7 C5 1.7922 -0.1027 -0.0648 C.3 1 UNK -0.0229 8 C6 -2.3341 0.6455 0.5388 C.3 1 UNK -0.0229 9 C7 0.6294 4.1090 1.1687 C.3 1 UNK -0.0245 10 C8 3.1421 -0.7554 0.0889 C.ar 1 UNK -0.0472 11 C9 -3.3557 -0.4469 0.3519 C.ar 1 UNK -0.0472 12 C10 3.3803 -1.9798 -0.5177 C.ar 1 UNK -0.0586 13 C11 -4.6366 -0.2754 0.8557 C.ar 1 UNK -0.0586 14 C12 4.1252 -0.1211 0.8341 C.ar 1 UNK -0.0586 15 C13 -2.9990 -1.6062 -0.3208 C.ar 1 UNK -0.0586 16 C14 4.6295 -2.5838 -0.3757 C.ar 1 UNK -0.0615 17 C15 -5.5822 -1.2861 0.6827 C.ar 1 UNK -0.0615 18 C16 5.3745 -0.7251 0.9760 C.ar 1 UNK -0.0615 19 C17 -3.9448 -2.6168 -0.4939 C.ar 1 UNK -0.0615 20 C18 5.6266 -1.9566 0.3710 C.ar 1 UNK -0.0617 21 C19 -5.2364 -2.4567 0.0080 C.ar 1 UNK -0.0617 22 H 0.0311 1.5921 0.5348 H 1 UNK 0.2033 23 H1 0.3569 2.0752 -2.3133 H 1 UNK 0.0814 24 H2 -0.3646 0.6538 -1.5827 H 1 UNK 0.0814 25 H3 -1.3715 3.4390 -1.2301 H 1 UNK 0.0814 26 H4 -1.5892 3.2859 0.5031 H 1 UNK 0.0814 27 H5 2.4646 1.5902 -1.1784 H 1 UNK 0.0320 28 H6 1.9543 0.2236 -2.1615 H 1 UNK 0.0320 29 H7 -2.1159 1.1320 -1.5286 H 1 UNK 0.0320 30 H8 -3.3323 2.0771 -0.6791 H 1 UNK 0.0320 31 H9 0.9842 3.9291 -0.9183 H 1 UNK 0.0812 32 H10 1.9440 2.8499 0.0871 H 1 UNK 0.0812 33 H11 1.0483 -0.8648 -0.1682 H 1 UNK 0.0315 34 H12 1.6103 0.4955 0.8035 H 1 UNK 0.0315 35 H13 -2.5458 1.1661 1.4493 H 1 UNK 0.0315 36 H14 -1.3648 0.1935 0.5719 H 1 UNK 0.0315 37 H15 -0.3340 4.5556 1.0372 H 1 UNK 0.0281 38 H16 1.3625 4.8762 1.3061 H 1 UNK 0.0281 39 H17 0.6132 3.4729 2.0290 H 1 UNK 0.0281 40 H18 2.6395 -2.4400 -1.0694 H 1 UNK 0.0620 41 H19 -4.8878 0.5925 1.3543 H 1 UNK 0.0620 42 H20 3.9340 0.7899 1.2797 H 1 UNK 0.0620 43 H21 -2.0421 -1.7201 -0.6901 H 1 UNK 0.0620 44 H22 4.8160 -3.4948 -0.8232 H 1 UNK 0.0618 45 H23 -6.5378 -1.1677 1.0540 H 1 UNK 0.0618 46 H24 6.1123 -0.2610 1.5285 H 1 UNK 0.0618 47 H25 -3.6890 -3.4829 -0.9933 H 1 UNK 0.0618 48 H26 6.5509 -2.4035 0.4760 H 1 UNK 0.0618 49 H27 -5.9361 -3.2044 -0.1199 H 1 UNK 0.0618 @BOND 1 1 2 1 2 1 3 1 3 1 6 1 4 2 4 1 5 3 5 1 6 4 7 1 7 5 8 1 8 6 9 1 9 7 10 1 10 8 11 1 11 10 12 ar 12 10 14 ar 13 11 13 ar 14 11 15 ar 15 12 16 ar 16 13 17 ar 17 14 18 ar 18 15 19 ar 19 16 20 ar 20 17 21 ar 21 18 20 ar 22 19 21 ar 23 1 22 1 24 2 23 1 25 2 24 1 26 3 25 1 27 3 26 1 28 4 27 1 29 4 28 1 30 5 29 1 31 5 30 1 32 6 31 1 33 6 32 1 34 7 33 1 35 7 34 1 36 8 35 1 37 8 36 1 38 9 37 1 39 9 38 1 40 9 39 1 41 12 40 1 42 13 41 1 43 14 42 1 44 15 43 1 45 16 44 1 46 17 45 1 47 18 46 1 48 19 47 1 49 20 48 1 50 21 49 1