@MOLECULE (1r,2s,3r)-1-{5-[(2s,3r)-2,3,4-trihydroxybutyl]-2-pyrazinyl}-1,2,3,4-butanetetrol 41 41 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.0368 1.2634 -0.2280 O.3 1 UNL111111111 -0.5663 2 O -2.7672 2.4721 0.5706 O.3 1 UNL111111111 -0.5554 3 O -5.0650 -1.0674 -1.6429 O.3 1 UNL111111111 -0.5582 4 O 3.6842 1.3923 -0.4454 O.3 1 UNL111111111 -0.5812 5 O 5.7657 0.4510 1.2226 O.3 1 UNL111111111 -0.5540 6 O -3.6443 -2.3560 1.2165 O.3 1 UNL111111111 -0.5539 7 O 6.8044 -1.1992 -0.8586 O.3 1 UNL111111111 -0.5489 8 N -1.1413 -0.6666 0.7033 N.ar 1 UNL111111111 -0.3461 9 N 0.7872 1.0066 -0.4070 N.ar 1 UNL111111111 -0.3653 10 C -3.8188 0.6289 -0.5717 C.3 1 UNL111111111 0.0439 11 C -2.8606 1.0604 0.5641 C.3 1 UNL111111111 0.1281 12 C -4.0387 -0.8948 -0.6778 C.3 1 UNL111111111 0.0430 13 C 3.5293 0.2445 0.3605 C.3 1 UNL111111111 0.1176 14 C 2.5038 -0.7221 -0.2627 C.3 1 UNL111111111 -0.3528 15 C 4.9443 -0.3700 0.4229 C.3 1 UNL111111111 0.0764 16 C -1.4495 0.5884 0.3295 C.ar 1 UNL111111111 0.0389 17 C 1.1023 -0.2547 -0.0390 C.ar 1 UNL111111111 0.1285 18 C -4.6049 -1.5308 0.6059 C.3 1 UNL111111111 -0.0140 19 C 5.5847 -0.4973 -0.9678 C.3 1 UNL111111111 -0.0380 20 C -0.4689 1.4398 -0.2272 C.ar 1 UNL111111111 0.0304 21 C 0.1178 -1.0975 0.5250 C.ar 1 UNL111111111 -0.0459 22 H -3.4910 1.0563 -1.5463 H 1 UNL111111111 0.1391 23 H -3.2446 0.7395 1.5645 H 1 UNL111111111 0.1674 24 H -3.1144 -1.4227 -0.9977 H 1 UNL111111111 0.1432 25 H 3.2079 0.5781 1.3748 H 1 UNL111111111 0.1403 26 H 2.6530 -1.7468 0.1334 H 1 UNL111111111 0.1693 27 H 2.6985 -0.7929 -1.3600 H 1 UNL111111111 0.1895 28 H 4.9552 -1.3389 0.9715 H 1 UNL111111111 0.1559 29 H -4.9589 -0.7812 1.3353 H 1 UNL111111111 0.1337 30 H -5.4344 -2.2287 0.3662 H 1 UNL111111111 0.1649 31 H 4.9876 -1.1131 -1.6613 H 1 UNL111111111 0.1409 32 H 5.7755 0.4917 -1.4245 H 1 UNL111111111 0.1410 33 H -0.6951 2.4759 -0.5199 H 1 UNL111111111 0.2129 34 H 0.3341 -2.1235 0.8412 H 1 UNL111111111 0.1929 35 H -5.7824 0.8245 -0.7027 H 1 UNL111111111 0.3508 36 H -3.6729 2.8629 0.5069 H 1 UNL111111111 0.3532 37 H -4.6993 -1.1045 -2.5474 H 1 UNL111111111 0.3225 38 H 2.7988 1.7772 -0.6554 H 1 UNL111111111 0.3570 39 H 5.7117 1.3853 0.9165 H 1 UNL111111111 0.3340 40 H -2.7838 -1.8849 1.3064 H 1 UNL111111111 0.3373 41 H 7.3431 -0.8144 -0.1318 H 1 UNL111111111 0.3272 @BOND 1 1 10 1 2 1 35 1 3 2 11 1 4 2 36 1 5 3 12 1 6 3 37 1 7 4 13 1 8 4 38 1 9 5 15 1 10 5 39 1 11 6 18 1 12 6 40 1 13 7 19 1 14 7 41 1 15 8 16 ar 16 8 21 ar 17 9 17 ar 18 9 20 ar 19 10 11 1 20 10 12 1 21 10 22 1 22 11 16 1 23 11 23 1 24 12 18 1 25 12 24 1 26 13 14 1 27 13 15 1 28 13 25 1 29 14 17 1 30 14 26 1 31 14 27 1 32 15 19 1 33 15 28 1 34 16 20 ar 35 17 21 ar 36 18 29 1 37 18 30 1 38 19 31 1 39 19 32 1 40 20 33 1 41 21 34 1