@MOLECULE FDBD00066 60 62 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.4458 2.5838 1.1246 O.co2 1 UNK -0.5479 2 O1 -4.3162 0.5688 1.0335 O.2 1 UNK -0.2756 3 O2 -2.0033 1.2291 2.0368 O.co2 1 UNK -0.5479 4 N -2.6618 0.3095 -0.5713 N.am 1 UNK -0.2887 5 N1 3.8341 1.5413 1.6470 N.ar 1 UNK -0.5633 6 N2 3.3551 1.6753 -0.5621 N.ar 1 UNK -0.1550 7 N3 3.3007 2.7131 1.2738 N.ar 1 UNK -0.3597 8 N4 3.0013 2.8371 -0.0267 N.ar 1 UNK -0.0878 9 C -2.1281 1.6483 -0.3526 C.3 1 UNK 0.0681 10 C1 -3.1990 2.7097 -0.6844 C.3 1 UNK -0.0228 11 C2 -1.9717 -0.4751 -1.5925 C.3 1 UNK 0.0404 12 C3 -3.7602 -0.1255 0.1783 C.2 1 UNK 0.2164 13 C4 -2.6829 4.1466 -0.5608 C.3 1 UNK -0.0606 14 C5 -3.8255 2.4888 -2.0639 C.3 1 UNK -0.0606 15 C6 -4.2561 -1.5358 -0.1131 C.3 1 UNK 0.0242 16 C7 -1.5293 1.7727 1.0456 C.2 1 UNK 0.0624 17 C8 -0.5353 -0.7246 -1.2339 C.ar 1 UNK -0.0300 18 C9 -5.4569 -1.9270 0.7501 C.3 1 UNK -0.0450 19 C10 -5.9070 -3.3585 0.4608 C.3 1 UNK -0.0555 20 C11 -0.1980 -1.1231 0.0597 C.ar 1 UNK -0.0565 21 C12 0.4619 -0.5585 -2.1950 C.ar 1 UNK -0.0565 22 C13 2.1338 -1.1893 -0.5690 C.ar 1 UNK -0.0173 23 C14 1.1365 -1.3554 0.3920 C.ar 1 UNK -0.0537 24 C15 1.7965 -0.7908 -1.8625 C.ar 1 UNK -0.0537 25 C16 -7.0767 -3.7638 1.3433 C.3 1 UNK -0.0653 26 C17 3.5178 -1.4314 -0.2247 C.ar 1 UNK -0.0104 27 C18 4.3373 -0.4169 0.2701 C.ar 1 UNK -0.0111 28 C19 4.0280 -2.7179 -0.3981 C.ar 1 UNK -0.0535 29 C20 5.6671 -0.6890 0.5913 C.ar 1 UNK -0.0537 30 C21 5.3579 -2.9900 -0.0769 C.ar 1 UNK -0.0611 31 C22 3.8485 0.9241 0.4629 C.ar 1 UNK 0.0027 32 C23 6.1775 -1.9755 0.4177 C.ar 1 UNK -0.0612 33 H 3.1384 3.4402 1.9174 H 1 UNK 0.1651 34 H1 -1.3151 1.8303 -1.0241 H 1 UNK 0.0565 35 H2 -3.9597 2.5796 0.0567 H 1 UNK 0.0317 36 H3 -2.0089 0.0564 -2.5204 H 1 UNK 0.0514 37 H4 -2.4628 -1.4226 -1.6696 H 1 UNK 0.0514 38 H5 -1.9174 4.3145 -1.2893 H 1 UNK 0.0233 39 H6 -2.2818 4.2984 0.4195 H 1 UNK 0.0233 40 H7 -3.4890 4.8306 -0.7262 H 1 UNK 0.0233 41 H8 -3.0783 2.6150 -2.8193 H 1 UNK 0.0233 42 H9 -4.6109 3.1992 -2.2168 H 1 UNK 0.0233 43 H10 -4.2251 1.4978 -2.1196 H 1 UNK 0.0233 44 H11 -3.4596 -2.2249 0.0753 H 1 UNK 0.0358 45 H12 -4.5690 -1.5645 -1.1359 H 1 UNK 0.0358 46 H13 -6.2667 -1.2588 0.5438 H 1 UNK 0.0270 47 H14 -5.1675 -1.8657 1.7784 H 1 UNK 0.0270 48 H15 -5.0885 -4.0235 0.6413 H 1 UNK 0.0263 49 H16 -6.2226 -3.4113 -0.5602 H 1 UNK 0.0263 50 H17 -0.9358 -1.2460 0.7707 H 1 UNK 0.0621 51 H18 0.2123 -0.2638 -3.1520 H 1 UNK 0.0621 52 H19 1.3861 -1.6502 1.3490 H 1 UNK 0.0624 53 H20 2.5343 -0.6678 -2.5735 H 1 UNK 0.0624 54 H21 -6.7812 -3.7175 2.3706 H 1 UNK 0.0230 55 H22 -7.3756 -4.7626 1.1028 H 1 UNK 0.0230 56 H23 -7.8965 -3.0965 1.1776 H 1 UNK 0.0230 57 H24 3.4216 -3.4685 -0.7640 H 1 UNK 0.0624 58 H25 6.2734 0.0616 0.9574 H 1 UNK 0.0624 59 H26 5.7354 -3.9419 -0.2052 H 1 UNK 0.0618 60 H27 7.1614 -2.1767 0.6552 H 1 UNK 0.0618 @BOND 1 1 16 ar 2 2 12 2 3 3 16 ar 4 4 9 1 5 4 11 1 6 4 12 am 7 5 7 ar 8 5 31 ar 9 6 8 ar 10 6 31 ar 11 7 8 ar 12 9 10 1 13 9 16 1 14 10 13 1 15 10 14 1 16 11 17 1 17 12 15 1 18 15 18 1 19 17 20 ar 20 17 21 ar 21 18 19 1 22 19 25 1 23 20 23 ar 24 21 24 ar 25 22 23 ar 26 22 24 ar 27 22 26 1 28 26 27 ar 29 26 28 ar 30 27 29 ar 31 27 31 1 32 28 30 ar 33 29 32 ar 34 30 32 ar 35 7 33 1 36 9 34 1 37 10 35 1 38 11 36 1 39 11 37 1 40 13 38 1 41 13 39 1 42 13 40 1 43 14 41 1 44 14 42 1 45 14 43 1 46 15 44 1 47 15 45 1 48 18 46 1 49 18 47 1 50 19 48 1 51 19 49 1 52 20 50 1 53 21 51 1 54 23 52 1 55 24 53 1 56 25 54 1 57 25 55 1 58 25 56 1 59 28 57 1 60 29 58 1 61 30 59 1 62 32 60 1