@MOLECULE tezosentan 43 47 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.9845 -2.6288 0.7286 S.O2 1 UNL11 2.3847 2 O 3.1792 1.5566 -0.7865 O.3 1 UNL11 -0.2147 3 O 2.0746 -2.1019 2.0547 O.2 1 UNL11 -0.8313 4 O 2.9674 -3.5237 0.1991 O.2 1 UNL11 -0.8273 5 O 1.2205 3.6903 -0.4612 O.3 1 UNL11 0.1909 6 O 4.4791 -0.7917 -0.9074 O.3 1 UNL11 -0.3344 7 O 4.5092 4.4618 -1.9575 O.3 1 UNL11 -0.1996 8 N 2.2155 -1.1936 -0.3291 N.pl3 1 UNL11 -0.9027 9 N -0.0348 -3.7840 -0.6972 N.ar 1 UNL11 -0.1903 10 N 0.0623 -0.2701 -0.1179 N.ar 1 UNL11 -0.5417 11 N -0.3717 2.0908 -0.2677 N.ar 1 UNL11 -0.4180 12 N -5.0120 -0.2152 -0.4556 N.ar 1 UNL11 -0.1740 13 N -7.1000 1.7580 0.3439 N.ar 1 UNL11 -0.1322 14 N -5.4732 3.1686 1.1284 N.ar 1 UNL11 -0.1580 15 N -7.6350 2.7822 0.8384 N.ar 1 UNL11 -0.0040 16 N -6.6012 3.6773 1.3378 N.ar 1 UNL11 0.0028 17 C -3.3361 -3.4289 -1.1215 C.3 1 UNL11 -0.3449 18 C -2.4000 -3.4961 -0.0002 C.ar 1 UNL11 -0.0216 19 C -4.0972 -2.3819 -1.3163 C.3 1 UNL11 0.1503 20 C -2.4054 -4.3373 -1.9621 C.3 1 UNL11 0.5239 21 C 0.3448 -3.2043 0.5065 C.ar 1 UNL11 -0.2135 22 C -1.9372 -3.1167 1.1945 C.ar 1 UNL11 -0.0166 23 C -1.3104 -3.9627 -0.9105 C.ar 1 UNL11 -0.1439 24 C -0.6489 -2.9939 1.4154 C.ar 1 UNL11 0.0603 25 C 1.4033 -0.0731 -0.2857 C.ar 1 UNL11 0.4569 26 C 1.8847 1.2611 -0.4513 C.ar 1 UNL11 -0.1155 27 C 0.9535 2.3006 -0.4022 C.ar 1 UNL11 0.2219 28 C -0.7692 0.8054 -0.1492 C.ar 1 UNL11 0.4166 29 C -2.2142 0.5360 -0.1776 C.ar 1 UNL11 -0.0836 30 C 4.0826 1.2934 0.2162 C.ar 1 UNL11 0.0613 31 C -3.2893 1.3203 0.1941 C.ar 1 UNL11 0.1794 32 C -2.7094 -0.6235 -0.6945 C.ar 1 UNL11 0.0570 33 C 2.3287 4.0471 -0.9414 C.3 1 UNL11 -0.3288 34 C 4.8106 0.0580 0.1024 C.ar 1 UNL11 0.1450 35 C -4.6368 1.0041 0.0699 C.ar 1 UNL11 0.0158 36 C 4.4618 2.1452 1.2263 C.ar 1 UNL11 -0.0240 37 C -4.0315 -1.0561 -0.8312 C.ar 1 UNL11 0.0522 38 C 3.4846 4.1665 -1.4866 C.3 1 UNL11 0.4348 39 C 5.8315 -0.1431 1.0015 C.ar 1 UNL11 -0.0273 40 C 5.4548 1.8713 2.0527 C.ar 1 UNL11 0.0150 41 C 6.1374 0.7352 1.9387 C.ar 1 UNL11 0.0309 42 C -5.6711 1.8926 0.4752 C.ar 1 UNL11 0.2005 43 C 3.3576 -1.3322 -1.2084 C.3 1 UNL11 0.6475 @BOND 1 1 3 2 2 1 4 2 3 1 8 1 4 1 21 1 5 2 26 1 6 2 30 1 7 5 27 1 8 5 33 1 9 6 34 1 10 6 43 1 11 7 38 1 12 8 25 1 13 9 21 ar 14 9 23 ar 15 10 25 ar 16 10 28 ar 17 11 27 ar 18 11 28 ar 19 12 35 ar 20 12 37 ar 21 13 15 ar 22 13 42 ar 23 14 16 ar 24 14 42 ar 25 15 16 ar 26 17 18 1 27 17 19 1 28 17 20 1 29 18 22 ar 30 18 23 ar 31 21 24 ar 32 22 24 ar 33 25 26 ar 34 26 27 ar 35 28 29 1 36 29 31 ar 37 29 32 ar 38 30 34 ar 39 30 36 ar 40 31 35 ar 41 32 37 ar 42 33 38 1 43 34 39 ar 44 35 42 1 45 36 40 ar 46 39 41 ar 47 40 41 ar