@MOLECULE FDBD00363 60 63 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.4964 1.8204 1.1085 O.2 1 UNK -0.2752 2 O1 3.8622 -2.1009 -1.3970 O.2 1 UNK -0.2752 3 N 3.6732 -0.0817 -0.2355 N.am 1 UNK -0.2421 4 N1 -2.5240 -0.9008 0.0122 N.4 1 UNK 0.2375 5 N2 -5.2619 -0.0902 0.0867 N.pl3 1 UNK -0.2895 6 N3 -6.9627 1.3323 -0.7254 N.ar 1 UNK -0.2228 7 N4 -7.4998 -0.5443 0.6878 N.ar 1 UNK -0.2228 8 C 6.4504 -0.1000 0.1742 C.3 1 UNK -0.0127 9 C1 6.7803 0.7141 -1.0890 C.3 1 UNK -0.0465 10 C2 7.8567 -0.3369 0.7495 C.3 1 UNK -0.0465 11 C3 7.9245 1.6391 -0.6797 C.3 1 UNK -0.0525 12 C4 8.6094 0.9690 0.5100 C.3 1 UNK -0.0525 13 C5 5.5741 0.6685 1.1659 C.3 1 UNK 0.0306 14 C6 5.7519 -1.4190 -0.1298 C.3 1 UNK 0.0306 15 C7 4.1607 0.8783 0.6699 C.2 1 UNK 0.2223 16 C8 4.3531 -1.2335 -0.6705 C.2 1 UNK 0.2223 17 C9 2.3140 0.1131 -0.7289 C.3 1 UNK 0.0225 18 C10 1.2706 -0.5535 0.1618 C.3 1 UNK -0.0319 19 C11 -0.1567 -0.3711 -0.3646 C.3 1 UNK -0.0111 20 C12 -1.1698 -1.0788 0.5348 C.3 1 UNK -0.0317 21 C13 -2.8788 0.5231 -0.0248 C.3 1 UNK -0.0157 22 C14 -3.4936 -1.6359 0.8339 C.3 1 UNK -0.0157 23 C15 -4.2731 0.7275 -0.6226 C.3 1 UNK 0.0552 24 C16 -4.9078 -1.5040 0.2639 C.3 1 UNK 0.0552 25 C17 -6.6189 0.2437 0.0143 C.ar 1 UNK 0.2181 26 C18 -8.2790 1.6249 -0.7741 C.ar 1 UNK 0.0326 27 C19 -8.7995 -0.1941 0.5957 C.ar 1 UNK 0.0326 28 C20 -9.2519 0.8906 -0.1274 C.ar 1 UNK -0.0253 29 H -2.5495 -1.2711 -0.9379 H 1 UNK 0.2034 30 H1 5.9301 1.2839 -1.4012 H 1 UNK 0.0271 31 H2 7.0485 0.0853 -1.9121 H 1 UNK 0.0271 32 H3 8.3385 -1.1466 0.2424 H 1 UNK 0.0271 33 H4 7.8268 -0.5980 1.7867 H 1 UNK 0.0271 34 H5 7.5432 2.5979 -0.3964 H 1 UNK 0.0265 35 H6 8.6090 1.7936 -1.4875 H 1 UNK 0.0265 36 H7 9.6361 0.7700 0.2839 H 1 UNK 0.0265 37 H8 8.5906 1.5962 1.3767 H 1 UNK 0.0265 38 H9 6.0186 1.6256 1.3425 H 1 UNK 0.0364 39 H10 5.5150 0.0832 2.0597 H 1 UNK 0.0364 40 H11 5.6959 -1.9914 0.7725 H 1 UNK 0.0364 41 H12 6.3237 -1.9185 -0.8838 H 1 UNK 0.0364 42 H13 2.2425 -0.3028 -1.7122 H 1 UNK 0.0469 43 H14 2.1159 1.1646 -0.7324 H 1 UNK 0.0469 44 H15 1.3321 -0.1258 1.1407 H 1 UNK 0.0282 45 H16 1.4792 -1.6029 0.1757 H 1 UNK 0.0282 46 H17 -0.2201 -0.7799 -1.3514 H 1 UNK 0.0317 47 H18 -0.3839 0.6744 -0.3752 H 1 UNK 0.0317 48 H19 -0.9401 -2.1232 0.5715 H 1 UNK 0.0814 49 H20 -1.1175 -0.6572 1.5168 H 1 UNK 0.0814 50 H21 -2.1620 1.0466 -0.6224 H 1 UNK 0.0830 51 H22 -2.8796 0.8996 0.9768 H 1 UNK 0.0830 52 H23 -3.4792 -1.2418 1.8286 H 1 UNK 0.0830 53 H24 -3.2225 -2.6710 0.8366 H 1 UNK 0.0830 54 H25 -4.5442 1.7592 -0.5387 H 1 UNK 0.0517 55 H26 -4.2548 0.4329 -1.6511 H 1 UNK 0.0517 56 H27 -4.9531 -1.9996 -0.6833 H 1 UNK 0.0517 57 H28 -5.5992 -1.9504 0.9477 H 1 UNK 0.0517 58 H29 -8.5750 2.4447 -1.3266 H 1 UNK 0.0831 59 H30 -9.4951 -0.7705 1.0946 H 1 UNK 0.0831 60 H31 -10.2527 1.1366 -0.1810 H 1 UNK 0.0648 @BOND 1 1 15 2 2 2 16 2 3 3 15 am 4 3 16 am 5 3 17 1 6 4 20 1 7 4 21 1 8 4 22 1 9 5 23 1 10 5 24 1 11 5 25 1 12 6 25 ar 13 6 26 ar 14 7 25 ar 15 7 27 ar 16 8 9 1 17 8 10 1 18 8 13 1 19 8 14 1 20 9 11 1 21 10 12 1 22 11 12 1 23 13 15 1 24 14 16 1 25 17 18 1 26 18 19 1 27 19 20 1 28 21 23 1 29 22 24 1 30 26 28 ar 31 27 28 ar 32 4 29 1 33 9 30 1 34 9 31 1 35 10 32 1 36 10 33 1 37 11 34 1 38 11 35 1 39 12 36 1 40 12 37 1 41 13 38 1 42 13 39 1 43 14 40 1 44 14 41 1 45 17 42 1 46 17 43 1 47 18 44 1 48 18 45 1 49 19 46 1 50 19 47 1 51 20 48 1 52 20 49 1 53 21 50 1 54 21 51 1 55 22 52 1 56 22 53 1 57 23 54 1 58 23 55 1 59 24 56 1 60 24 57 1 61 26 58 1 62 27 59 1 63 28 60 1