@MOLECULE n-[(4-hydroxybenzoyl)carbamoyl]hexopyranosylamine 42 43 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.6469 0.8302 -0.5060 O.3 1 UNL1111111111 -0.4764 2 C 2.0889 -0.2491 0.2295 C.3 1 UNL1111111111 0.2521 3 C 2.8455 -1.5485 -0.1635 C.3 1 UNL1111111111 0.0276 4 O 2.4314 -2.6127 0.6639 O.3 1 UNL1111111111 -0.5495 5 C 4.3427 -1.3721 0.1377 C.3 1 UNL1111111111 0.0692 6 O 5.0795 -2.4243 -0.4500 O.3 1 UNL1111111111 -0.5642 7 C 4.8765 -0.0959 -0.5437 C.3 1 UNL1111111111 0.0691 8 O 6.1531 0.2135 -0.0309 O.3 1 UNL1111111111 -0.5457 9 C 3.9982 1.1173 -0.1715 C.3 1 UNL1111111111 0.0517 10 C 4.3303 2.3482 -1.0260 C.3 1 UNL1111111111 -0.0163 11 O 3.7329 3.4999 -0.4740 O.3 1 UNL1111111111 -0.5321 12 N 0.7137 -0.3327 -0.2435 N.am 1 UNL1111111111 -0.6483 13 C -0.3104 -0.0201 0.6811 C.2 1 UNL1111111111 0.7110 14 O -0.0855 0.0933 1.8591 O.2 1 UNL1111111111 -0.4439 15 N -1.5974 -0.0027 0.1010 N.am 1 UNL1111111111 -0.6675 16 C -2.7405 0.3424 0.8692 C.2 1 UNL1111111111 0.6004 17 O -2.6103 0.7883 1.9801 O.2 1 UNL1111111111 -0.4146 18 C -4.0640 0.1391 0.2343 C.ar 1 UNL1111111111 -0.2314 19 C -5.1458 0.7604 0.8726 C.ar 1 UNL1111111111 0.0092 20 C -6.4364 0.6155 0.3790 C.ar 1 UNL1111111111 -0.3317 21 C -6.6214 -0.1601 -0.7694 C.ar 1 UNL1111111111 0.3340 22 C -5.5566 -0.7964 -1.4219 C.ar 1 UNL1111111111 -0.2666 23 C -4.2800 -0.6500 -0.9006 C.ar 1 UNL1111111111 -0.0374 24 O -7.8374 -0.3537 -1.3287 O.3 1 UNL1111111111 -0.4625 25 H 2.1460 -0.0457 1.3309 H 1 UNL1111111111 0.1777 26 H 2.6727 -1.8358 -1.2223 H 1 UNL1111111111 0.1481 27 H 1.4498 -2.6270 0.7272 H 1 UNL1111111111 0.3370 28 H 4.5429 -1.3776 1.2341 H 1 UNL1111111111 0.1564 29 H 4.7192 -3.2889 -0.1472 H 1 UNL1111111111 0.3414 30 H 4.9592 -0.2394 -1.6436 H 1 UNL1111111111 0.1465 31 H 6.7335 -0.5804 -0.0957 H 1 UNL1111111111 0.3387 32 H 4.0737 1.3555 0.9145 H 1 UNL1111111111 0.1604 33 H 5.4162 2.5717 -0.9974 H 1 UNL1111111111 0.1664 34 H 3.9900 2.2312 -2.0704 H 1 UNL1111111111 0.1284 35 H 2.7764 3.3368 -0.3266 H 1 UNL1111111111 0.3210 36 H 0.5838 -0.1604 -1.2332 H 1 UNL1111111111 0.3153 37 H -1.7139 -0.2983 -0.8594 H 1 UNL1111111111 0.3147 38 H -4.9681 1.3594 1.7755 H 1 UNL1111111111 0.1804 39 H -7.2764 1.0893 0.8763 H 1 UNL1111111111 0.1701 40 H -5.7490 -1.3951 -2.3094 H 1 UNL1111111111 0.1811 41 H -3.4543 -1.1728 -1.3836 H 1 UNL1111111111 0.1465 42 H -8.5689 0.0559 -0.8027 H 1 UNL1111111111 0.3341 @BOND 1 1 2 1 2 1 9 1 3 2 3 1 4 2 12 1 5 2 25 1 6 3 4 1 7 3 5 1 8 3 26 1 9 4 27 1 10 5 6 1 11 5 7 1 12 5 28 1 13 6 29 1 14 7 8 1 15 7 9 1 16 7 30 1 17 8 31 1 18 9 10 1 19 9 32 1 20 10 11 1 21 10 33 1 22 10 34 1 23 11 35 1 24 12 13 am 25 12 36 1 26 13 14 2 27 13 15 am 28 15 16 am 29 15 37 1 30 16 17 2 31 16 18 1 32 18 19 ar 33 18 23 ar 34 19 20 ar 35 19 38 1 36 20 21 ar 37 20 39 1 38 21 22 ar 39 21 24 1 40 22 23 ar 41 22 40 1 42 23 41 1 43 24 42 1