@MOLECULE 1-o-{[(1s,4s)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenyl](methyl)carbamoyl}hexopyranuronic acid 60 63 0 0 0 SMALL GASTEIGER @ATOM 1 CL 4.7575 2.5404 1.1518 Cl 1 UNL1111111111 -0.0373 2 CL 7.2780 2.6172 -0.7139 Cl 1 UNL1111111111 -0.0404 3 O -4.3108 0.0059 -0.5726 O.3 1 UNL1111111111 -0.3973 4 O -2.4574 0.1833 0.6908 O.3 1 UNL1111111111 -0.4247 5 O -6.4073 2.4422 1.9697 O.3 1 UNL1111111111 -0.5081 6 O -3.9898 2.4205 0.7539 O.3 1 UNL1111111111 -0.5331 7 O -7.8046 0.5844 0.2257 O.3 1 UNL1111111111 -0.5282 8 O -2.2603 -1.9797 -0.0105 O.2 1 UNL1111111111 -0.5414 9 O -7.3704 -0.5216 -2.2235 O.3 1 UNL1111111111 -0.6087 10 O -5.3528 -0.0793 -3.0727 O.2 1 UNL1111111111 -0.4231 11 N -0.4163 -0.6029 0.1548 N.am 1 UNL1111111111 -0.4932 12 C 0.5326 -1.5754 -0.4188 C.3 1 UNL1111111111 0.1057 13 C 3.4655 -2.0004 -0.9804 C.3 1 UNL1111111111 -0.1322 14 C 1.2661 -0.9089 -1.6011 C.3 1 UNL1111111111 -0.2966 15 C 2.4007 -1.8087 -2.0780 C.3 1 UNL1111111111 -0.2617 16 C 1.4904 -2.0862 0.6377 C.ar 1 UNL1111111111 -0.0636 17 C 2.8476 -2.2776 0.3681 C.ar 1 UNL1111111111 -0.0088 18 C -5.9263 1.2260 1.4730 C.3 1 UNL1111111111 0.0841 19 C -4.3781 1.2669 1.4591 C.3 1 UNL1111111111 0.0246 20 C 4.3911 -0.8114 -0.9185 C.ar 1 UNL1111111111 0.0266 21 C -6.4680 0.9763 0.0459 C.3 1 UNL1111111111 0.0655 22 C -3.8453 -0.0083 0.7793 C.3 1 UNL1111111111 0.2713 23 C -5.7076 -0.1989 -0.6300 C.3 1 UNL1111111111 -0.0280 24 C 0.9866 -2.4211 1.8988 C.ar 1 UNL1111111111 -0.1424 25 C 3.6923 -2.7614 1.3734 C.ar 1 UNL1111111111 -0.1738 26 C -1.7415 -0.9136 0.2304 C.2 1 UNL1111111111 0.7146 27 C 0.0960 0.6733 0.6581 C.3 1 UNL1111111111 -0.2116 28 C 1.8276 -2.9075 2.8912 C.ar 1 UNL1111111111 -0.1546 29 C 3.1881 -3.0754 2.6292 C.ar 1 UNL1111111111 -0.1323 30 C 4.1625 0.2324 -0.0188 C.ar 1 UNL1111111111 -0.1784 31 C 5.5109 -0.7687 -1.7582 C.ar 1 UNL1111111111 -0.1696 32 C -6.0327 -0.2486 -2.1067 C.2 1 UNL1111111111 0.6127 33 C 5.0590 1.2922 0.0358 C.ar 1 UNL1111111111 -0.0029 34 C 6.4029 0.2991 -1.7005 C.ar 1 UNL1111111111 -0.1367 35 C 6.1710 1.3272 -0.7934 C.ar 1 UNL1111111111 -0.0309 36 H -0.0574 -2.4639 -0.8035 H 1 UNL1111111111 0.1792 37 H 4.0724 -2.9089 -1.2620 H 1 UNL1111111111 0.1615 38 H 0.5475 -0.7118 -2.4212 H 1 UNL1111111111 0.1597 39 H 1.6687 0.0811 -1.3108 H 1 UNL1111111111 0.1573 40 H 2.8671 -1.3847 -2.9884 H 1 UNL1111111111 0.1505 41 H 2.0016 -2.7987 -2.3758 H 1 UNL1111111111 0.1493 42 H -6.3397 0.4775 2.1881 H 1 UNL1111111111 0.1685 43 H -3.9585 1.4211 2.4777 H 1 UNL1111111111 0.1717 44 H -6.4324 1.9030 -0.5651 H 1 UNL1111111111 0.1434 45 H -4.0966 -0.9696 1.2713 H 1 UNL1111111111 0.1486 46 H -5.9817 -1.1736 -0.1495 H 1 UNL1111111111 0.1795 47 H -0.0783 -2.3029 2.1040 H 1 UNL1111111111 0.1613 48 H 4.7536 -2.8909 1.1678 H 1 UNL1111111111 0.1560 49 H 1.1126 0.5413 1.0715 H 1 UNL1111111111 0.1524 50 H 0.1260 1.4292 -0.1478 H 1 UNL1111111111 0.1515 51 H -0.5407 1.0703 1.4718 H 1 UNL1111111111 0.1636 52 H 1.4267 -3.1642 3.8703 H 1 UNL1111111111 0.1527 53 H 3.8512 -3.4536 3.4037 H 1 UNL1111111111 0.1524 54 H 3.2951 0.2027 0.6439 H 1 UNL1111111111 0.1836 55 H 5.6900 -1.5790 -2.4650 H 1 UNL1111111111 0.1641 56 H -5.9130 3.1966 1.5663 H 1 UNL1111111111 0.3284 57 H -3.8397 2.2066 -0.1981 H 1 UNL1111111111 0.3404 58 H -8.1853 0.2736 -0.6285 H 1 UNL1111111111 0.3358 59 H 7.2734 0.3228 -2.3583 H 1 UNL1111111111 0.1743 60 H -7.6925 -0.5803 -3.1541 H 1 UNL1111111111 0.3691 @BOND 1 1 33 1 2 2 35 1 3 3 22 1 4 3 23 1 5 4 22 1 6 4 26 1 7 5 18 1 8 5 56 1 9 6 19 1 10 6 57 1 11 7 21 1 12 7 58 1 13 8 26 2 14 9 32 1 15 9 60 1 16 10 32 2 17 11 12 1 18 11 26 am 19 11 27 1 20 12 14 1 21 12 16 1 22 12 36 1 23 13 15 1 24 13 17 1 25 13 20 1 26 13 37 1 27 14 15 1 28 14 38 1 29 14 39 1 30 15 40 1 31 15 41 1 32 16 17 ar 33 16 24 ar 34 17 25 ar 35 18 19 1 36 18 21 1 37 18 42 1 38 19 22 1 39 19 43 1 40 20 30 ar 41 20 31 ar 42 21 23 1 43 21 44 1 44 22 45 1 45 23 32 1 46 23 46 1 47 24 28 ar 48 24 47 1 49 25 29 ar 50 25 48 1 51 27 49 1 52 27 50 1 53 27 51 1 54 28 29 ar 55 28 52 1 56 29 53 1 57 30 33 ar 58 30 54 1 59 31 34 ar 60 31 55 1 61 33 35 ar 62 34 35 ar 63 34 59 1