@MOLECULE FDBD00207 45 47 0 0 0 SMALL GASTEIGER @ATOM 1 N 2.9255 -2.2076 -0.6183 N.4 1 UNK 0.2311 2 C -1.8781 0.8302 -1.7939 C.3 1 UNK -0.0231 3 C1 -0.3777 1.0834 -1.9473 C.3 1 UNK -0.0231 4 C2 -0.2112 -0.2046 0.6322 C.2 1 UNK -0.0140 5 C3 -2.3555 -0.1607 -0.7469 C.ar 1 UNK -0.0393 6 C4 0.1917 1.8189 -0.7614 C.ar 1 UNK -0.0393 7 C5 -1.6077 -0.6335 0.3543 C.ar 1 UNK -0.0144 8 C6 0.2660 1.1871 0.4911 C.ar 1 UNK -0.0144 9 C7 0.7175 -1.1310 0.9399 C.2 1 UNK -0.0707 10 C8 2.1469 -0.8064 1.2359 C.3 1 UNK 0.0065 11 C9 -3.6907 -0.5987 -0.8950 C.ar 1 UNK -0.0580 12 C10 0.6453 3.1390 -0.8944 C.ar 1 UNK -0.0580 13 C11 -2.2287 -1.5144 1.2674 C.ar 1 UNK -0.0538 14 C12 0.7849 1.8854 1.5923 C.ar 1 UNK -0.0538 15 C13 3.0670 -1.9499 0.8104 C.3 1 UNK -0.0289 16 C14 -4.2775 -1.4823 0.0085 C.ar 1 UNK -0.0615 17 C15 1.1637 3.8236 0.2047 C.ar 1 UNK -0.0615 18 C16 -3.5454 -1.9393 1.0930 C.ar 1 UNK -0.0612 19 C17 1.2324 3.1981 1.4466 C.ar 1 UNK -0.0612 20 C18 3.7758 -3.3271 -1.0263 C.3 1 UNK -0.0433 21 C19 3.2559 -1.0103 -1.3928 C.3 1 UNK -0.0433 22 H 1.9533 -2.4549 -0.8030 H 1 UNK 0.2028 23 H1 -2.2355 0.4823 -2.7405 H 1 UNK 0.0316 24 H2 -2.2625 1.7686 -1.4524 H 1 UNK 0.0316 25 H3 -0.2137 1.6680 -2.8284 H 1 UNK 0.0316 26 H4 0.1134 0.1353 -2.0168 H 1 UNK 0.0316 27 H5 0.4259 -2.1204 0.9732 H 1 UNK 0.0580 28 H6 2.2577 -0.6407 2.2872 H 1 UNK 0.0359 29 H7 2.4179 0.0716 0.6876 H 1 UNK 0.0359 30 H8 -4.2462 -0.2549 -1.6939 H 1 UNK 0.0620 31 H9 0.5952 3.6076 -1.8125 H 1 UNK 0.0620 32 H10 -1.6949 -1.8518 2.0836 H 1 UNK 0.0624 33 H11 0.8356 1.4251 2.5146 H 1 UNK 0.0624 34 H12 4.0816 -1.6844 1.0225 H 1 UNK 0.0817 35 H13 2.7987 -2.8329 1.3519 H 1 UNK 0.0817 36 H14 -5.2514 -1.7946 -0.1290 H 1 UNK 0.0618 37 H15 1.4966 4.7945 0.0973 H 1 UNK 0.0618 38 H16 -3.9730 -2.5915 1.7688 H 1 UNK 0.0618 39 H17 1.6146 3.7060 2.2596 H 1 UNK 0.0618 40 H18 4.8007 -3.0833 -0.8389 H 1 UNK 0.0777 41 H19 3.6394 -3.5165 -2.0705 H 1 UNK 0.0777 42 H20 3.5088 -4.1998 -0.4677 H 1 UNK 0.0777 43 H21 4.2742 -0.7371 -1.2101 H 1 UNK 0.0777 44 H22 2.6129 -0.2070 -1.0993 H 1 UNK 0.0777 45 H23 3.1222 -1.2116 -2.4351 H 1 UNK 0.0777 @BOND 1 1 15 1 2 1 20 1 3 1 21 1 4 2 3 1 5 2 5 1 6 3 6 1 7 4 7 1 8 4 8 1 9 4 9 2 10 5 7 ar 11 5 11 ar 12 6 8 ar 13 6 12 ar 14 7 13 ar 15 8 14 ar 16 9 10 1 17 10 15 1 18 11 16 ar 19 12 17 ar 20 13 18 ar 21 14 19 ar 22 16 18 ar 23 17 19 ar 24 1 22 1 25 2 23 1 26 2 24 1 27 3 25 1 28 3 26 1 29 9 27 1 30 10 28 1 31 10 29 1 32 11 30 1 33 12 31 1 34 13 32 1 35 14 33 1 36 15 34 1 37 15 35 1 38 16 36 1 39 17 37 1 40 18 38 1 41 19 39 1 42 20 40 1 43 20 41 1 44 20 42 1 45 21 43 1 46 21 44 1 47 21 45 1