@MOLECULE FDBD00237 60 63 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.4860 0.4702 -1.4665 O.2 1 UNK -0.2750 2 O1 -6.0892 -0.2907 1.8259 O.3 1 UNK -0.3932 3 N 0.2253 -2.4600 -0.0025 N.4 1 UNK 0.2390 4 N1 5.6035 0.1905 0.2103 N.4 1 UNK 0.2296 5 N2 -3.5821 0.2779 0.5782 N.am 1 UNK -0.3096 6 C 1.3419 -1.5309 -0.3351 C.3 1 UNK 0.0014 7 C1 1.0214 -0.0448 0.0074 C.2 1 UNK -0.0216 8 C2 2.6667 -2.0468 0.3403 C.3 1 UNK 0.0025 9 C3 -1.3726 -0.6147 0.3447 C.3 1 UNK 0.0939 10 C4 -1.0672 -1.9016 -0.4257 C.3 1 UNK -0.0167 11 C5 3.7412 -1.0220 0.2594 C.3 1 UNK 0.0130 12 C6 2.1389 0.9249 -0.0326 C.3 1 UNK -0.0063 13 C7 3.4030 0.3365 0.0909 C.3 1 UNK 0.0165 14 C8 -0.2200 0.3415 0.3497 C.2 1 UNK -0.0625 15 C9 4.5669 1.0868 0.0650 C.3 1 UNK -0.0188 16 C10 0.4039 -3.7830 -0.6097 C.3 1 UNK -0.0425 17 C11 -2.5260 0.0946 -0.2977 C.2 1 UNK 0.2253 18 C12 5.1126 -1.0917 0.3315 C.3 1 UNK -0.0298 19 C13 2.0928 2.3160 -0.1850 C.3 1 UNK -0.0457 20 C14 4.5386 2.4740 -0.0850 C.3 1 UNK -0.0094 21 C15 3.2742 3.0711 -0.2093 C.3 1 UNK -0.0474 22 C16 -4.8047 0.9553 0.2115 C.3 1 UNK 0.0460 23 C17 -5.4960 0.2479 -0.9617 C.3 1 UNK -0.0352 24 C18 -5.7341 1.0274 1.4234 C.3 1 UNK 0.0625 25 C19 -6.7531 0.9716 -1.4274 C.3 1 UNK -0.0635 26 H -6.6789 -0.2462 2.5948 H 1 UNK 0.2095 27 H1 0.2341 -2.5709 1.0114 H 1 UNK 0.2037 28 H2 6.1381 0.4267 1.0462 H 1 UNK 0.2016 29 H3 6.2034 0.2401 -0.6132 H 1 UNK 0.2016 30 H4 -3.4961 -0.0700 1.4952 H 1 UNK 0.1491 31 H5 1.4797 -1.5338 -1.3962 H 1 UNK 0.0901 32 H6 2.9918 -2.9347 -0.1605 H 1 UNK 0.0328 33 H7 2.4665 -2.2496 1.3717 H 1 UNK 0.0328 34 H8 -1.5888 -0.9083 1.3507 H 1 UNK 0.0490 35 H9 -1.8394 -2.6175 -0.2357 H 1 UNK 0.0825 36 H10 -1.0219 -1.6770 -1.4709 H 1 UNK 0.0825 37 H11 3.5764 -2.0775 0.3192 H 1 UNK 0.0359 38 H12 1.2682 1.5450 -0.0811 H 1 UNK 0.0352 39 H13 2.3357 0.3447 0.0152 H 1 UNK 0.0366 40 H14 -0.3830 1.3232 0.6232 H 1 UNK 0.0583 41 H15 5.0791 2.0230 -0.0137 H 1 UNK 0.0853 42 H16 0.3977 -3.6900 -1.6756 H 1 UNK 0.0778 43 H17 -0.3940 -4.4267 -0.3032 H 1 UNK 0.0778 44 H18 1.3382 -4.1975 -0.2932 H 1 UNK 0.0778 45 H19 5.4076 -1.5076 1.2722 H 1 UNK 0.0817 46 H20 5.4979 -1.7161 -0.4473 H 1 UNK 0.0817 47 H21 1.5050 2.6934 0.6255 H 1 UNK 0.0271 48 H22 1.7116 2.4357 -1.1776 H 1 UNK 0.0271 49 H23 5.0988 2.7161 -0.9639 H 1 UNK 0.0320 50 H24 4.9437 2.8626 0.8259 H 1 UNK 0.0320 51 H25 3.1957 3.7769 0.5911 H 1 UNK 0.0267 52 H26 3.2921 3.4301 -1.2171 H 1 UNK 0.0267 53 H27 -4.5657 1.9488 -0.1058 H 1 UNK 0.0521 54 H28 -5.7646 -0.7413 -0.6546 H 1 UNK 0.0281 55 H29 -4.8084 0.2352 -1.7814 H 1 UNK 0.0281 56 H30 -5.2333 1.5237 2.2283 H 1 UNK 0.0575 57 H31 -6.6178 1.5722 1.1642 H 1 UNK 0.0575 58 H32 -7.4639 1.0020 -0.6282 H 1 UNK 0.0230 59 H33 -7.1760 0.4513 -2.2613 H 1 UNK 0.0230 60 H34 -6.5023 1.9699 -1.7198 H 1 UNK 0.0230 @BOND 1 1 17 2 2 2 24 1 3 3 6 1 4 3 10 1 5 3 16 1 6 4 15 1 7 4 18 1 8 5 17 am 9 5 22 1 10 6 7 1 11 6 8 1 12 7 12 1 13 7 14 2 14 8 11 1 15 9 10 1 16 9 14 1 17 9 17 1 18 11 13 1 19 11 18 1 20 12 13 1 21 12 19 1 22 13 15 1 23 15 20 1 24 19 21 1 25 20 21 1 26 22 23 1 27 22 24 1 28 23 25 1 29 2 26 1 30 3 27 1 31 4 28 1 32 4 29 1 33 5 30 1 34 6 31 1 35 8 32 1 36 8 33 1 37 9 34 1 38 10 35 1 39 10 36 1 40 11 37 1 41 12 38 1 42 13 39 1 43 14 40 1 44 15 41 1 45 16 42 1 46 16 43 1 47 16 44 1 48 18 45 1 49 18 46 1 50 19 47 1 51 19 48 1 52 20 49 1 53 20 50 1 54 21 51 1 55 21 52 1 56 22 53 1 57 23 54 1 58 23 55 1 59 24 56 1 60 24 57 1 61 25 58 1 62 25 59 1 63 25 60 1