@MOLECULE esomeprazole 43 45 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.3150 -1.0527 0.9068 S.O 1 UNL1111111111 1.2416 2 O 5.2380 1.5914 0.7070 O.3 1 UNL1111111111 -0.3506 3 O 0.0244 -2.5023 0.9212 O.2 1 UNL1111111111 -0.7982 4 O -7.0069 0.4969 -0.5024 O.3 1 UNL1111111111 -0.3028 5 N -2.4517 -1.1953 0.4249 N.ar 1 UNL1111111111 -0.3743 6 N -1.5951 0.9069 0.3218 N.ar 1 UNL1111111111 -0.3781 7 N 3.2517 -1.5787 -1.0564 N.ar 1 UNL1111111111 -0.3773 8 C 1.0775 -0.6346 -0.7135 C.3 1 UNL1111111111 -0.5202 9 C 2.5556 -0.5297 -0.5649 C.ar 1 UNL1111111111 0.1713 10 C 3.1912 0.5883 0.0100 C.ar 1 UNL1111111111 -0.0999 11 C -1.3150 -0.3809 0.5130 C.ar 1 UNL1111111111 -0.0352 12 C -3.5233 -0.3502 0.1590 C.ar 1 UNL1111111111 0.1158 13 C 4.5924 0.5600 0.0657 C.ar 1 UNL1111111111 0.1865 14 C -2.9722 0.9765 0.0964 C.ar 1 UNL1111111111 -0.0120 15 C 5.3235 -0.5307 -0.4127 C.ar 1 UNL1111111111 -0.1166 16 C 2.4410 1.7477 0.5523 C.3 1 UNL1111111111 -0.4272 17 C -4.8868 -0.6016 -0.0330 C.ar 1 UNL1111111111 -0.3683 18 C 4.5893 -1.5865 -0.9769 C.ar 1 UNL1111111111 0.0278 19 C -3.8062 2.0759 -0.1628 C.ar 1 UNL1111111111 -0.0516 20 C -5.6676 0.5135 -0.2870 C.ar 1 UNL1111111111 0.2850 21 C -5.1479 1.8400 -0.3529 C.ar 1 UNL1111111111 -0.2705 22 C 6.8030 -0.5938 -0.3289 C.3 1 UNL1111111111 -0.4355 23 C 5.7883 2.5462 -0.1953 C.3 1 UNL1111111111 -0.1971 24 C -7.6541 -0.7692 -0.4664 C.3 1 UNL1111111111 -0.2013 25 H 0.6491 0.3094 -1.1111 H 1 UNL1111111111 0.1965 26 H 0.8172 -1.4167 -1.4658 H 1 UNL1111111111 0.2088 27 H -2.4780 -2.1912 0.5316 H 1 UNL1111111111 0.3424 28 H 2.0904 1.5534 1.5797 H 1 UNL1111111111 0.1718 29 H 3.0630 2.6535 0.6167 H 1 UNL1111111111 0.1589 30 H 1.5571 2.0104 -0.0515 H 1 UNL1111111111 0.1683 31 H -5.2822 -1.6055 0.0161 H 1 UNL1111111111 0.1784 32 H 5.0867 -2.4748 -1.3835 H 1 UNL1111111111 0.1770 33 H -3.3822 3.0785 -0.2084 H 1 UNL1111111111 0.1694 34 H -5.8423 2.6532 -0.5580 H 1 UNL1111111111 0.1806 35 H 7.1610 -1.6126 -0.1157 H 1 UNL1111111111 0.1625 36 H 7.2749 -0.2751 -1.2709 H 1 UNL1111111111 0.1599 37 H 7.1977 0.0524 0.4725 H 1 UNL1111111111 0.1703 38 H 6.2686 3.2635 0.4830 H 1 UNL1111111111 0.1536 39 H 4.9949 3.0292 -0.7735 H 1 UNL1111111111 0.1302 40 H 6.5267 2.0855 -0.8585 H 1 UNL1111111111 0.1339 41 H -7.2798 -1.4210 -1.2612 H 1 UNL1111111111 0.1377 42 H -8.7017 -0.4967 -0.6532 H 1 UNL1111111111 0.1515 43 H -7.5497 -1.2352 0.5184 H 1 UNL1111111111 0.1371 @BOND 1 1 3 2 2 1 8 1 3 1 11 1 4 2 13 1 5 2 23 1 6 4 20 1 7 4 24 1 8 5 11 ar 9 5 12 ar 10 5 27 1 11 6 11 ar 12 6 14 ar 13 7 9 ar 14 7 18 ar 15 8 9 1 16 8 25 1 17 8 26 1 18 9 10 ar 19 10 13 ar 20 10 16 1 21 12 14 ar 22 12 17 ar 23 13 15 ar 24 14 19 ar 25 15 18 ar 26 15 22 1 27 16 28 1 28 16 29 1 29 16 30 1 30 17 20 ar 31 17 31 1 32 18 32 1 33 19 21 ar 34 19 33 1 35 20 21 ar 36 21 34 1 37 22 35 1 38 22 36 1 39 22 37 1 40 23 38 1 41 23 39 1 42 23 40 1 43 24 41 1 44 24 42 1 45 24 43 1