@MOLECULE n-[(6-butoxy-2-naphthyl)sulfonyl]-d-glutamic acid 51 52 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.5177 2.7162 -0.3739 O.2 1 UNL1111111111 -0.9016 2 S 2.0294 1.4945 0.2176 S.O2 1 UNL1111111111 2.3614 3 O 2.2863 1.1470 1.5973 O.2 1 UNL1111111111 -0.9255 4 N 2.7621 0.2263 -0.7428 N.3 1 UNL1111111111 -0.8626 5 C 3.2318 -0.9746 -0.0559 C.3 1 UNL1111111111 0.0476 6 C 3.4647 -2.0219 -1.1428 C.2 1 UNL1111111111 0.6224 7 O 4.0660 -1.9073 -2.1764 O.2 1 UNL1111111111 -0.5105 8 O 2.8985 -3.1959 -0.7755 O.3 1 UNL1111111111 -0.5614 9 C 4.5337 -0.8211 0.7561 C.3 1 UNL1111111111 -0.3141 10 C 5.6820 -0.2094 -0.0431 C.3 1 UNL1111111111 -0.3555 11 C 6.9769 -0.4425 0.6649 C.2 1 UNL1111111111 0.6478 12 O 7.9181 0.4294 0.2155 O.3 1 UNL1111111111 -0.5642 13 O 7.2487 -1.2585 1.5053 O.2 1 UNL1111111111 -0.5106 14 C 0.3226 1.3121 -0.0890 C.ar 1 UNL1111111111 -0.4168 15 C -0.2622 1.9754 -1.1983 C.ar 1 UNL1111111111 -0.0543 16 C -1.6005 1.8427 -1.4557 C.ar 1 UNL1111111111 -0.2003 17 C -2.4250 1.0404 -0.6137 C.ar 1 UNL1111111111 0.1113 18 C -1.8374 0.3833 0.4954 C.ar 1 UNL1111111111 -0.1237 19 C -0.4484 0.5379 0.7424 C.ar 1 UNL1111111111 -0.0131 20 C -3.8070 0.8934 -0.8575 C.ar 1 UNL1111111111 -0.3239 21 C -4.5669 0.1090 -0.0072 C.ar 1 UNL1111111111 0.2868 22 C -3.9919 -0.5603 1.1056 C.ar 1 UNL1111111111 -0.2933 23 C -2.6499 -0.4178 1.3428 C.ar 1 UNL1111111111 -0.0645 24 O -5.8738 0.0532 -0.3462 O.3 1 UNL1111111111 -0.3266 25 C -6.7573 -0.7003 0.4943 C.3 1 UNL1111111111 -0.0464 26 C -8.1208 -0.4757 -0.1615 C.3 1 UNL1111111111 -0.2935 27 C -9.2099 -1.2175 0.6193 C.3 1 UNL1111111111 -0.2463 28 C -10.5818 -0.9732 -0.0081 C.3 1 UNL1111111111 -0.4372 29 H 3.3954 0.5411 -1.4814 H 1 UNL1111111111 0.3163 30 H 2.4211 -1.3431 0.6420 H 1 UNL1111111111 0.1842 31 H 4.8297 -1.8117 1.1671 H 1 UNL1111111111 0.1747 32 H 4.3237 -0.1992 1.6599 H 1 UNL1111111111 0.1951 33 H 3.0237 -3.9265 -1.4302 H 1 UNL1111111111 0.3576 34 H 5.7486 -0.6465 -1.0691 H 1 UNL1111111111 0.1986 35 H 5.5248 0.8814 -0.2078 H 1 UNL1111111111 0.1916 36 H 8.8047 0.3091 0.6367 H 1 UNL1111111111 0.3572 37 H 0.3595 2.6048 -1.8457 H 1 UNL1111111111 0.1719 38 H -0.0224 0.0298 1.6169 H 1 UNL1111111111 0.1693 39 H -2.0606 2.3469 -2.3037 H 1 UNL1111111111 0.1615 40 H -4.2730 1.3930 -1.7036 H 1 UNL1111111111 0.1829 41 H -2.1838 -0.9203 2.1927 H 1 UNL1111111111 0.1561 42 H -4.6069 -1.1752 1.7556 H 1 UNL1111111111 0.1703 43 H -6.7178 -0.3004 1.5217 H 1 UNL1111111111 0.1296 44 H -6.4538 -1.7605 0.4796 H 1 UNL1111111111 0.1292 45 H -8.0951 -0.8147 -1.2159 H 1 UNL1111111111 0.1571 46 H -8.3434 0.6088 -0.2085 H 1 UNL1111111111 0.1577 47 H -9.2163 -0.8863 1.6759 H 1 UNL1111111111 0.1361 48 H -8.9941 -2.3032 0.6403 H 1 UNL1111111111 0.1360 49 H -10.8400 0.0921 -0.0092 H 1 UNL1111111111 0.1461 50 H -10.6179 -1.3213 -1.0467 H 1 UNL1111111111 0.1460 51 H -11.3698 -1.5000 0.5420 H 1 UNL1111111111 0.1434 @BOND 1 1 2 2 2 2 3 2 3 2 4 1 4 2 14 1 5 4 5 1 6 4 29 1 7 5 6 1 8 5 9 1 9 5 30 1 10 6 7 2 11 6 8 1 12 8 33 1 13 9 10 1 14 9 31 1 15 9 32 1 16 10 11 1 17 10 34 1 18 10 35 1 19 11 12 1 20 11 13 2 21 12 36 1 22 14 15 ar 23 14 19 ar 24 15 16 ar 25 15 37 1 26 16 17 ar 27 16 39 1 28 17 18 ar 29 17 20 ar 30 18 19 ar 31 18 23 ar 32 19 38 1 33 20 21 ar 34 20 40 1 35 21 22 ar 36 21 24 1 37 22 23 ar 38 22 42 1 39 23 41 1 40 24 25 1 41 25 26 1 42 25 43 1 43 25 44 1 44 26 27 1 45 26 45 1 46 26 46 1 47 27 28 1 48 27 47 1 49 27 48 1 50 28 49 1 51 28 50 1 52 28 51 1