@MOLECULE FDBD00162 59 62 0 0 0 SMALL GASTEIGER @ATOM 1 O 5.0424 2.1696 -1.1918 O.3 1 UNK -0.3828 2 O1 2.7462 1.9294 -2.3318 O.co2 1 UNK -0.5396 3 O2 2.4606 -0.1178 -3.2548 O.co2 1 UNK -0.5396 4 N 2.3600 -1.0379 -0.3632 N.ar 1 UNK -0.1728 5 N1 3.5710 -0.1456 1.2431 N.ar 1 UNK -0.3015 6 N2 -2.9367 2.4592 0.3668 N.ar 1 UNK -0.5633 7 N3 -3.0477 1.1850 2.2355 N.ar 1 UNK -0.1550 8 N4 -2.1443 2.8801 1.3627 N.ar 1 UNK -0.3597 9 N5 -2.1781 2.1552 2.4896 N.ar 1 UNK -0.0878 10 C 4.4425 1.8601 0.1019 C.3 1 UNK 0.1066 11 C1 3.6375 0.6277 0.1110 C.ar 1 UNK 0.1256 12 C2 2.7861 -1.1486 0.9178 C.ar 1 UNK 0.2592 13 C3 2.8863 0.0856 -0.9051 C.ar 1 UNK 0.2542 14 C4 1.4729 -1.9805 -1.0530 C.3 1 UNK 0.1782 15 C5 2.3958 -2.2668 1.8009 C.3 1 UNK 0.0500 16 C6 3.6361 3.1429 0.4618 C.3 1 UNK -0.0305 17 C7 5.6667 1.7849 1.0569 C.3 1 UNK -0.0305 18 C8 0.0364 -1.6160 -0.8863 C.ar 1 UNK 0.0173 19 C9 3.5893 -2.8439 2.5879 C.3 1 UNK -0.0448 20 C10 2.6809 0.5617 -2.2359 C.2 1 UNK 0.1398 21 C11 -0.5796 -0.7678 -1.8064 C.ar 1 UNK -0.0520 22 C12 -0.6911 -2.1234 0.1904 C.ar 1 UNK -0.0520 23 C13 4.6641 -3.4169 1.6777 C.3 1 UNK -0.0647 24 C14 -2.6505 -0.9339 -0.5734 C.ar 1 UNK -0.0173 25 C15 -1.9231 -0.4266 -1.6499 C.ar 1 UNK -0.0536 26 C16 -2.0346 -1.7823 0.3468 C.ar 1 UNK -0.0536 27 C17 -4.0443 -0.5809 -0.4113 C.ar 1 UNK -0.0104 28 C18 -4.4403 0.5381 0.3261 C.ar 1 UNK -0.0111 29 C19 -5.0111 -1.3897 -1.0138 C.ar 1 UNK -0.0535 30 C20 -5.7943 0.8460 0.4595 C.ar 1 UNK -0.0537 31 C21 -6.3651 -1.0817 -0.8800 C.ar 1 UNK -0.0611 32 C22 -3.4775 1.3990 0.9637 C.ar 1 UNK 0.0027 33 C23 -6.7566 0.0360 -0.1434 C.ar 1 UNK -0.0612 34 H 4.3457 2.2376 -1.8633 H 1 UNK 0.2107 35 H1 4.0134 0.0154 2.1077 H 1 UNK 0.1711 36 H2 -1.5710 3.6752 1.2717 H 1 UNK 0.1651 37 H3 1.6300 -2.9600 -0.6521 H 1 UNK 0.1086 38 H4 1.7038 -1.9495 -2.0973 H 1 UNK 0.1086 39 H5 1.9718 -3.0452 1.2015 H 1 UNK 0.0389 40 H6 1.6911 -1.8883 2.5115 H 1 UNK 0.0389 41 H7 2.7847 3.2212 -0.1815 H 1 UNK 0.0261 42 H8 4.2594 4.0033 0.3349 H 1 UNK 0.0261 43 H9 3.3102 3.0856 1.4793 H 1 UNK 0.0261 44 H10 6.2412 0.9106 0.8322 H 1 UNK 0.0261 45 H11 5.3262 1.7373 2.0702 H 1 UNK 0.0261 46 H12 6.2754 2.6551 0.9257 H 1 UNK 0.0261 47 H13 3.2329 -3.6219 3.2302 H 1 UNK 0.0268 48 H14 4.0285 -2.0436 3.1460 H 1 UNK 0.0268 49 H15 -0.0414 -0.3926 -2.6030 H 1 UNK 0.0623 50 H16 -0.2354 -2.7511 0.8711 H 1 UNK 0.0623 51 H17 4.2541 -4.2221 1.1046 H 1 UNK 0.0230 52 H18 5.4776 -3.7794 2.2707 H 1 UNK 0.0230 53 H19 5.0169 -2.6525 1.0173 H 1 UNK 0.0230 54 H20 -2.3788 0.2011 -2.3306 H 1 UNK 0.0624 55 H21 -2.5729 -2.1576 1.1433 H 1 UNK 0.0624 56 H22 -4.7229 -2.2170 -1.5592 H 1 UNK 0.0624 57 H23 -6.0841 1.6732 1.0043 H 1 UNK 0.0624 58 H24 -7.0771 -1.6809 -1.3261 H 1 UNK 0.0618 59 H25 -7.7583 0.2638 -0.0444 H 1 UNK 0.0618 @BOND 1 1 10 1 2 2 20 ar 3 3 20 ar 4 4 12 ar 5 4 13 ar 6 4 14 1 7 5 11 ar 8 5 12 ar 9 6 8 ar 10 6 32 ar 11 7 9 ar 12 7 32 ar 13 8 9 ar 14 10 11 1 15 10 16 1 16 10 17 1 17 11 13 ar 18 12 15 1 19 13 20 1 20 14 18 1 21 15 19 1 22 18 21 ar 23 18 22 ar 24 19 23 1 25 21 25 ar 26 22 26 ar 27 24 25 ar 28 24 26 ar 29 24 27 1 30 27 28 ar 31 27 29 ar 32 28 30 ar 33 28 32 1 34 29 31 ar 35 30 33 ar 36 31 33 ar 37 1 34 1 38 5 35 1 39 8 36 1 40 14 37 1 41 14 38 1 42 15 39 1 43 15 40 1 44 16 41 1 45 16 42 1 46 16 43 1 47 17 44 1 48 17 45 1 49 17 46 1 50 19 47 1 51 19 48 1 52 21 49 1 53 22 50 1 54 23 51 1 55 23 52 1 56 23 53 1 57 25 54 1 58 26 55 1 59 29 56 1 60 30 57 1 61 31 58 1 62 33 59 1