@MOLECULE 4-(5-nitro-2,3-dihydro-1h-indol-1-yl)phenyl alpha-d-mannopyranoside 52 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.4849 -1.1446 -0.4854 O.3 1 UNL11111 -0.4372 2 O -2.8273 1.0319 -0.0631 O.3 1 UNL11111 -0.4209 3 O -6.9326 1.1959 -0.3949 O.3 1 UNL11111 -0.5443 4 O -6.4854 -0.8756 1.5125 O.3 1 UNL11111 -0.5481 5 O -5.3881 0.0466 -2.3500 O.3 1 UNL11111 -0.5476 6 O -3.2320 -3.1924 1.6511 O.3 1 UNL11111 -0.5309 7 O 7.0322 -2.7394 -1.0523 O.2 1 UNL11111 -0.4209 8 O 8.2122 -1.1988 -0.1248 O.2 1 UNL11111 -0.4206 9 N 2.6684 1.5653 0.3302 N.pl3 1 UNL11111 -0.4091 10 N 7.1415 -1.6524 -0.5021 N.pl3 1 UNL11111 0.6484 11 C -5.6496 0.7046 -0.1219 C.3 1 UNL11111 0.0823 12 C -5.7493 -0.7700 0.3123 C.3 1 UNL11111 0.0514 13 C -4.7311 0.7956 -1.3511 C.3 1 UNL11111 0.0253 14 C -4.3397 -1.2938 0.6480 C.3 1 UNL11111 0.0472 15 C -3.3705 0.1315 -1.0182 C.3 1 UNL11111 0.2740 16 C -4.3585 -2.8057 0.8999 C.3 1 UNL11111 -0.0208 17 C 3.2335 2.7571 1.0199 C.3 1 UNL11111 -0.0658 18 C 4.7541 2.4650 1.1633 C.3 1 UNL11111 -0.2753 19 C 3.6527 0.6284 0.0857 C.ar 1 UNL11111 0.2846 20 C 4.9213 1.1173 0.5348 C.ar 1 UNL11111 -0.1396 21 C 1.2754 1.3832 0.2485 C.ar 1 UNL11111 0.1709 22 C -1.4594 1.0812 0.0067 C.ar 1 UNL11111 0.1939 23 C 6.0628 0.3829 0.3513 C.ar 1 UNL11111 -0.0363 24 C 3.5551 -0.6076 -0.5626 C.ar 1 UNL11111 -0.3184 25 C 0.6878 0.1278 0.4735 C.ar 1 UNL11111 -0.1956 26 C 0.4740 2.4960 -0.0654 C.ar 1 UNL11111 -0.1939 27 C -0.6871 -0.0297 0.3384 C.ar 1 UNL11111 -0.1749 28 C -0.9000 2.3470 -0.1835 C.ar 1 UNL11111 -0.1660 29 C 5.9495 -0.8671 -0.2917 C.ar 1 UNL11111 -0.1805 30 C 4.7164 -1.3519 -0.7407 C.ar 1 UNL11111 0.0055 31 H -5.2914 1.3636 0.7062 H 1 UNL11111 0.1747 32 H -6.2563 -1.3893 -0.4607 H 1 UNL11111 0.1507 33 H -4.6038 1.8437 -1.6976 H 1 UNL11111 0.1516 34 H -3.8891 -0.7452 1.5055 H 1 UNL11111 0.1665 35 H -2.7013 -0.0201 -1.8903 H 1 UNL11111 0.1431 36 H -4.3933 -3.3790 -0.0436 H 1 UNL11111 0.1302 37 H -5.2128 -3.0870 1.5527 H 1 UNL11111 0.1718 38 H 2.7428 2.8952 2.0047 H 1 UNL11111 0.1469 39 H 3.0503 3.6638 0.4089 H 1 UNL11111 0.1449 40 H 5.0703 2.4693 2.2205 H 1 UNL11111 0.1641 41 H 5.3611 3.2334 0.6502 H 1 UNL11111 0.1639 42 H -7.2784 0.8169 -1.2359 H 1 UNL11111 0.3358 43 H -7.2281 -0.2253 1.4992 H 1 UNL11111 0.3378 44 H -4.8602 0.0081 -3.1723 H 1 UNL11111 0.3267 45 H 7.0404 0.7428 0.6844 H 1 UNL11111 0.1861 46 H 2.6049 -0.9739 -0.9378 H 1 UNL11111 0.1791 47 H 1.3003 -0.7217 0.7746 H 1 UNL11111 0.1762 48 H 0.9282 3.4702 -0.2337 H 1 UNL11111 0.1639 49 H -1.1614 -0.9976 0.5022 H 1 UNL11111 0.1804 50 H -1.5406 3.1950 -0.4202 H 1 UNL11111 0.1732 51 H -2.4140 -3.0468 1.1341 H 1 UNL11111 0.3111 52 H 4.6673 -2.3289 -1.2391 H 1 UNL11111 0.1847 @BOND 1 1 14 1 2 1 15 1 3 2 15 1 4 2 22 1 5 3 11 1 6 3 42 1 7 4 12 1 8 4 43 1 9 5 13 1 10 5 44 1 11 6 16 1 12 6 51 1 13 7 10 2 14 8 10 2 15 9 17 1 16 9 19 1 17 9 21 1 18 10 29 1 19 11 12 1 20 11 13 1 21 11 31 1 22 12 14 1 23 12 32 1 24 13 15 1 25 13 33 1 26 14 16 1 27 14 34 1 28 15 35 1 29 16 36 1 30 16 37 1 31 17 18 1 32 17 38 1 33 17 39 1 34 18 20 1 35 18 40 1 36 18 41 1 37 19 20 ar 38 19 24 ar 39 20 23 ar 40 21 25 ar 41 21 26 ar 42 22 27 ar 43 22 28 ar 44 23 29 ar 45 23 45 1 46 24 30 ar 47 24 46 1 48 25 27 ar 49 25 47 1 50 26 28 ar 51 26 48 1 52 27 49 1 53 28 50 1 54 29 30 ar 55 30 52 1