@MOLECULE 4-aminophenyl 6-o-phosphono-alpha-d-mannopyranoside 41 42 0 0 0 SMALL GASTEIGER @ATOM 1 P -1.1050 3.3889 0.0386 P.3 1 UNL1111111111 0.3519 2 O 0.9597 -0.4589 -1.0754 O.3 1 UNL1111111111 -0.4059 3 O 3.2676 1.1128 1.2686 O.3 1 UNL1111111111 -0.5549 4 O 4.4616 -1.4556 0.7737 O.3 1 UNL1111111111 -0.5664 5 O 0.3406 -2.1960 0.3284 O.3 1 UNL1111111111 -0.4319 6 O 3.3021 -2.1167 -1.5565 O.3 1 UNL1111111111 -0.5383 7 O -0.3464 1.9962 0.0342 O.3 1 UNL1111111111 -0.2182 8 O -0.9300 3.9005 -1.4611 O.3 1 UNL1111111111 -0.3224 9 O -0.1582 4.4386 0.7956 O.3 1 UNL1111111111 -0.4343 10 O -2.4427 3.2038 0.5694 O.2 1 UNL1111111111 -0.2532 11 N -5.1803 -2.4334 0.0576 N.pl3 1 UNL1111111111 -0.6267 12 C 2.8121 0.2429 0.2633 C.3 1 UNL1111111111 0.0478 13 C 3.0701 -1.2123 0.6961 C.3 1 UNL1111111111 0.0444 14 C 1.3089 0.4184 -0.0153 C.3 1 UNL1111111111 0.0265 15 C 2.5488 -2.1967 -0.3680 C.3 1 UNL1111111111 0.0595 16 C 1.1086 -1.8191 -0.7988 C.3 1 UNL1111111111 0.2939 17 C 0.9690 1.8180 -0.5512 C.3 1 UNL1111111111 -0.0524 18 C -1.0257 -2.2206 0.1630 C.ar 1 UNL1111111111 0.1369 19 C -1.7469 -1.1274 -0.3167 C.ar 1 UNL1111111111 -0.1372 20 C -1.6519 -3.3800 0.6215 C.ar 1 UNL1111111111 -0.1396 21 C -3.1323 -1.1902 -0.3269 C.ar 1 UNL1111111111 -0.2457 22 C -3.0398 -3.4416 0.6145 C.ar 1 UNL1111111111 -0.2657 23 C -3.7854 -2.3474 0.1390 C.ar 1 UNL1111111111 0.2152 24 H 3.4385 0.5205 -0.6164 H 1 UNL1111111111 0.1733 25 H 2.6321 -1.4324 1.6954 H 1 UNL1111111111 0.1438 26 H 0.6898 0.1704 0.8830 H 1 UNL1111111111 0.1646 27 H 2.5987 -3.2472 -0.0008 H 1 UNL1111111111 0.1538 28 H 0.7714 -2.3052 -1.7381 H 1 UNL1111111111 0.1622 29 H 0.9021 1.8141 -1.6604 H 1 UNL1111111111 0.1596 30 H 1.7162 2.5670 -0.2232 H 1 UNL1111111111 0.1520 31 H 2.6555 1.1409 2.0330 H 1 UNL1111111111 0.3234 32 H 4.9124 -0.6786 1.1756 H 1 UNL1111111111 0.3408 33 H 4.2589 -2.0388 -1.3257 H 1 UNL1111111111 0.3414 34 H -1.2379 -0.2291 -0.6764 H 1 UNL1111111111 0.1961 35 H -1.0551 -4.2134 0.9858 H 1 UNL1111111111 0.1644 36 H -3.7080 -0.3417 -0.6904 H 1 UNL1111111111 0.1685 37 H -3.5456 -4.3347 0.9671 H 1 UNL1111111111 0.1569 38 H -1.0193 4.9239 -1.4660 H 1 UNL1111111111 0.3169 39 H -0.3731 4.4419 1.7892 H 1 UNL1111111111 0.3278 40 H -5.6374 -3.1359 0.6005 H 1 UNL1111111111 0.2843 41 H -5.6923 -1.5787 -0.0246 H 1 UNL1111111111 0.2871 @BOND 1 1 7 1 2 1 8 1 3 1 9 1 4 1 10 2 5 2 14 1 6 2 16 1 7 3 12 1 8 3 31 1 9 4 13 1 10 4 32 1 11 5 16 1 12 5 18 1 13 6 15 1 14 6 33 1 15 7 17 1 16 8 38 1 17 9 39 1 18 11 23 1 19 11 40 1 20 11 41 1 21 12 13 1 22 12 14 1 23 12 24 1 24 13 15 1 25 13 25 1 26 14 17 1 27 14 26 1 28 15 16 1 29 15 27 1 30 16 28 1 31 17 29 1 32 17 30 1 33 18 19 ar 34 18 20 ar 35 19 21 ar 36 19 34 1 37 20 22 ar 38 20 35 1 39 21 23 ar 40 21 36 1 41 22 23 ar 42 22 37 1