@MOLECULE FDBD00009 54 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.0661 -1.1129 2.4181 O.2 1 UNK -0.2654 2 O1 4.2383 1.9583 1.7563 O.2 1 UNK -0.2702 3 O2 7.3280 0.6119 -1.9919 O.co2 1 UNK -0.5479 4 O3 5.1868 0.6987 -2.7387 O.co2 1 UNK -0.5479 5 O4 5.4184 -4.4031 -0.0491 O.co2 1 UNK -0.5498 6 O5 6.6730 -3.2971 1.4840 O.co2 1 UNK -0.5498 7 N -4.6858 1.0429 0.7202 N.pl3 1 UNK -0.3275 8 N1 -5.3982 0.7346 -1.9034 N.pl3 1 UNK -0.2881 9 N2 -2.0258 1.9781 0.6864 N.pl3 1 UNK -0.3420 10 N3 -5.9999 -1.5729 -1.4202 N.ar 1 UNK -0.1617 11 N4 -5.8364 -2.4909 0.7493 N.ar 1 UNK -0.2540 12 N5 4.1843 0.7897 -0.2457 N.am 1 UNK -0.3034 13 N6 -6.6080 -3.7635 -1.0722 N.pl3 1 UNK -0.2898 14 C -4.2871 2.1186 -0.1819 C.3 1 UNK 0.0520 15 C1 -5.1708 2.0986 -1.4459 C.3 1 UNK 0.0341 16 C2 -2.8051 1.9677 -0.5227 C.3 1 UNK 0.0289 17 C3 -5.1981 -0.1524 0.2615 C.ar 1 UNK 0.1814 18 C4 -5.5368 -0.3371 -1.0343 C.ar 1 UNK 0.2987 19 C5 -0.6429 1.8550 0.7174 C.ar 1 UNK 0.0272 20 C6 -5.3593 -1.2845 1.2373 C.ar 1 UNK 0.2833 21 C7 -6.1329 -2.6025 -0.5196 C.ar 1 UNK 0.3518 22 C8 5.6077 0.5596 -0.3440 C.3 1 UNK 0.0632 23 C9 6.0486 -0.7319 0.3556 C.3 1 UNK -0.0241 24 C10 0.0712 1.7121 -0.4721 C.ar 1 UNK -0.0401 25 C11 0.0319 1.8757 1.9381 C.ar 1 UNK -0.0401 26 C12 2.1353 1.6102 0.7794 C.ar 1 UNK 0.0368 27 C13 1.4604 1.5897 -0.4411 C.ar 1 UNK -0.0479 28 C14 1.4210 1.7534 1.9690 C.ar 1 UNK -0.0479 29 C15 5.4638 -2.0319 -0.2112 C.3 1 UNK -0.0112 30 C16 3.5837 1.4830 0.8116 C.2 1 UNK 0.2446 31 C17 5.9814 0.6187 -1.8109 C.2 1 UNK 0.0620 32 C18 5.9195 -3.2758 0.5207 C.2 1 UNK 0.0418 33 H -4.5855 1.1753 1.6906 H 1 UNK 0.1468 34 H1 -5.4560 0.5662 -2.8717 H 1 UNK 0.1516 35 H2 -2.5010 2.0784 1.5427 H 1 UNK 0.1461 36 H3 -6.2416 -1.7236 -2.3626 H 1 UNK 0.4578 37 H4 -5.9514 -3.2591 1.3542 H 1 UNK 0.1760 38 H5 3.6057 0.4398 -0.9612 H 1 UNK 0.1496 39 H6 -6.8180 -3.8013 -2.0333 H 1 UNK 0.1493 40 H7 -6.7392 -4.5596 -0.5080 H 1 UNK 0.1493 41 H8 -4.4254 3.0676 0.2926 H 1 UNK 0.0528 42 H9 -6.1128 2.5538 -1.2213 H 1 UNK 0.0482 43 H10 -4.6684 2.6385 -2.2212 H 1 UNK 0.0482 44 H11 -2.6509 1.0423 -1.0372 H 1 UNK 0.0480 45 H12 -2.5006 2.7813 -1.1474 H 1 UNK 0.0480 46 H13 6.1419 1.3228 0.1824 H 1 UNK 0.0560 47 H14 5.7602 -0.6631 1.3837 H 1 UNK 0.0290 48 H15 7.1056 -0.7983 0.2033 H 1 UNK 0.0290 49 H16 -0.4281 1.6969 -1.3751 H 1 UNK 0.0636 50 H17 -0.4966 1.9815 2.8182 H 1 UNK 0.0636 51 H18 1.9888 1.4840 -1.3212 H 1 UNK 0.0626 52 H19 1.9204 1.7689 2.8720 H 1 UNK 0.0626 53 H20 5.7591 -2.1161 -1.2362 H 1 UNK 0.0325 54 H21 4.4018 -1.9730 -0.0950 H 1 UNK 0.0325 @BOND 1 1 20 2 2 2 30 2 3 3 31 ar 4 4 31 ar 5 5 32 ar 6 6 32 ar 7 7 14 1 8 7 17 1 9 8 15 1 10 8 18 1 11 9 16 1 12 9 19 1 13 10 18 ar 14 10 21 ar 15 11 20 ar 16 11 21 ar 17 12 22 1 18 12 30 am 19 13 21 1 20 14 15 1 21 14 16 1 22 17 18 ar 23 17 20 ar 24 19 24 ar 25 19 25 ar 26 22 23 1 27 22 31 1 28 23 29 1 29 24 27 ar 30 25 28 ar 31 26 27 ar 32 26 28 ar 33 26 30 1 34 29 32 1 35 7 33 1 36 8 34 1 37 9 35 1 38 10 36 1 39 11 37 1 40 12 38 1 41 13 39 1 42 13 40 1 43 14 41 1 44 15 42 1 45 15 43 1 46 16 44 1 47 16 45 1 48 22 46 1 49 23 47 1 50 23 48 1 51 24 49 1 52 25 50 1 53 27 51 1 54 28 52 1 55 29 53 1 56 29 54 1