@MOLECULE FDBD01519 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 N 4.5455 1.1179 0.1616 N.4 1 UNK 0.2311 2 N1 -2.7380 1.8147 -0.8121 N.ar 1 UNK -0.2593 3 C 0.0046 -0.3432 -0.7025 C.2 1 UNK -0.0316 4 C1 1.2888 -0.6770 -0.4612 C.2 1 UNK -0.0559 5 C2 1.4194 -2.0279 0.2150 C.3 1 UNK -0.0051 6 C3 -0.5709 0.8700 -1.3375 C.3 1 UNK 0.0241 7 C4 -0.8358 -1.4378 -0.2111 C.ar 1 UNK -0.0178 8 C5 -0.0144 -2.4351 0.3309 C.ar 1 UNK -0.0359 9 C6 2.5243 0.0948 -0.7711 C.3 1 UNK 0.0095 10 C7 3.3376 0.3695 0.4909 C.3 1 UNK -0.0286 11 C8 -1.2911 0.5354 -2.6533 C.3 1 UNK -0.0529 12 C9 -2.2140 -1.5880 -0.2194 C.ar 1 UNK -0.0540 13 C10 -1.4795 1.6411 -0.3899 C.ar 1 UNK 0.0484 14 C11 -0.5425 -3.5948 0.8720 C.ar 1 UNK -0.0577 15 C12 -2.7588 -2.7549 0.3242 C.ar 1 UNK -0.0612 16 C13 -1.9296 -3.7503 0.8656 C.ar 1 UNK -0.0615 17 C14 -0.9521 2.0879 0.7944 C.ar 1 UNK -0.0398 18 C15 5.3671 0.3746 -0.7951 C.3 1 UNK -0.0433 19 C16 5.3152 1.4120 1.3714 C.3 1 UNK -0.0433 20 C17 -1.8078 2.7885 1.6373 C.ar 1 UNK -0.0586 21 C18 -3.5400 2.5001 0.0332 C.ar 1 UNK 0.0279 22 C19 -3.1280 3.0027 1.2568 C.ar 1 UNK -0.0436 23 H 4.2668 2.0003 -0.2675 H 1 UNK 0.2028 24 H1 1.8815 -1.9421 1.1763 H 1 UNK 0.0359 25 H2 2.0326 -2.7265 -0.3149 H 1 UNK 0.0359 26 H3 0.2526 1.5114 -1.5728 H 1 UNK 0.0410 27 H4 2.2498 1.0271 -1.2187 H 1 UNK 0.0362 28 H5 3.1252 -0.4842 -1.4408 H 1 UNK 0.0362 29 H6 2.7450 0.9393 1.1757 H 1 UNK 0.0817 30 H7 3.6162 -0.5631 0.9354 H 1 UNK 0.0817 31 H8 -2.1227 -0.1070 -2.4514 H 1 UNK 0.0239 32 H9 -0.6117 0.0416 -3.3162 H 1 UNK 0.0239 33 H10 -1.6404 1.4386 -3.1084 H 1 UNK 0.0239 34 H11 -2.8230 -0.8560 -0.6173 H 1 UNK 0.0624 35 H12 0.0716 -4.3232 1.2686 H 1 UNK 0.0621 36 H13 -3.7824 -2.8863 0.3276 H 1 UNK 0.0618 37 H14 -2.3498 -4.6052 1.2626 H 1 UNK 0.0618 38 H15 0.0328 1.9126 1.0480 H 1 UNK 0.0636 39 H16 5.6683 -0.5553 -0.3597 H 1 UNK 0.0777 40 H17 6.2345 0.9500 -1.0429 H 1 UNK 0.0777 41 H18 4.7990 0.1858 -1.6820 H 1 UNK 0.0777 42 H19 5.6158 0.4954 1.8345 H 1 UNK 0.0777 43 H20 4.7096 1.9735 2.0517 H 1 UNK 0.0777 44 H21 6.1829 1.9821 1.1123 H 1 UNK 0.0777 45 H22 -1.4644 3.1481 2.5417 H 1 UNK 0.0619 46 H23 -4.5195 2.6587 -0.2504 H 1 UNK 0.0829 47 H24 -3.7804 3.5198 1.8667 H 1 UNK 0.0633 @BOND 1 1 10 1 2 1 18 1 3 1 19 1 4 2 13 ar 5 2 21 ar 6 3 4 2 7 3 6 1 8 3 7 1 9 4 5 1 10 4 9 1 11 5 8 1 12 6 11 1 13 6 13 1 14 7 8 ar 15 7 12 ar 16 8 14 ar 17 9 10 1 18 12 15 ar 19 13 17 ar 20 14 16 ar 21 15 16 ar 22 17 20 ar 23 20 22 ar 24 21 22 ar 25 1 23 1 26 5 24 1 27 5 25 1 28 6 26 1 29 9 27 1 30 9 28 1 31 10 29 1 32 10 30 1 33 11 31 1 34 11 32 1 35 11 33 1 36 12 34 1 37 14 35 1 38 15 36 1 39 16 37 1 40 17 38 1 41 18 39 1 42 18 40 1 43 18 41 1 44 19 42 1 45 19 43 1 46 19 44 1 47 20 45 1 48 21 46 1 49 22 47 1