@MOLECULE alacepril 54 55 0 0 0 SMALL GASTEIGER @ATOM 1 S -3.9811 1.6597 -0.2949 S.3 1 UNL1111111111 -0.0959 2 O -0.4663 1.7917 -0.6815 O.2 1 UNL1111111111 -0.5799 3 O 2.0043 -0.3192 2.4195 O.2 1 UNL1111111111 -0.5469 4 O 3.4564 2.7926 -0.9045 O.3 1 UNL1111111111 -0.5497 5 OXT 5.0962 2.4718 0.5756 O.2 1 UNL1111111111 -0.4925 6 O -4.5732 -0.9199 -0.3807 O.2 1 UNL1111111111 -0.4561 7 N -0.8223 -0.0364 0.5516 N.am 1 UNL1111111111 -0.5120 8 N 1.9812 1.0342 0.6039 N.am 1 UNL1111111111 -0.5862 9 C -0.1598 0.5338 1.7336 C.3 1 UNL1111111111 0.0224 10 C -0.7095 -0.2823 2.9198 C.3 1 UNL1111111111 -0.2734 11 C -1.0887 -1.6472 2.3193 C.3 1 UNL1111111111 -0.2779 12 C -1.3411 -1.3889 0.8189 C.3 1 UNL1111111111 -0.0716 13 C -1.0439 0.7202 -0.5713 C.2 1 UNL1111111111 0.5843 14 C 1.3670 0.3463 1.6291 C.2 0 ACE0 0.5612 15 C -1.9871 0.2096 -1.6505 C.3 1 UNL1 -0.1644 16 CA 3.3754 0.7482 0.2917 C.3 1 UNL1 0.0383 17 C -3.0969 1.2432 -1.8444 C.3 1 UNL1 -0.2953 18 C -1.1792 0.0532 -2.9405 C.3 1 UNL1 -0.4415 19 CB 3.5322 -0.1281 -0.9732 C.3 1 UNL1 -0.3238 20 C 4.0933 2.0741 0.0508 C.2 1 UNL1 0.6111 21 CG 2.6884 -1.3653 -0.9143 C.ar 1 UNL1 0.0195 22 CD1 2.6908 -2.1900 0.2133 C.ar 1 UNL1 -0.1536 23 CD2 1.8868 -1.6990 -2.0083 C.ar 1 UNL1 -0.1789 24 C -4.7138 0.0944 0.2435 C.2 1 UNL1 0.4564 25 CE1 1.8783 -3.3202 0.2548 C.ar 1 UNL1 -0.1407 26 CE2 1.0781 -2.8322 -1.9657 C.ar 1 UNL1 -0.1501 27 CZ 1.0664 -3.6414 -0.8316 C.ar 1 UNL1 -0.1710 28 C -5.4682 0.1919 1.5234 C.3 1 UNL1 -0.5375 29 H -0.3919 1.6277 1.8222 H 1 UNL1 0.1786 30 H 0.0428 -0.3895 3.7247 H 1 UNL1 0.1775 31 H -1.5848 0.2187 3.3641 H 1 UNL1 0.1427 32 H -1.9703 -2.0822 2.8117 H 1 UNL1 0.1438 33 H -0.2593 -2.3672 2.4538 H 1 UNL1 0.1591 34 H -2.4213 -1.4584 0.5731 H 1 UNL1 0.1463 35 H -0.7979 -2.1251 0.1837 H 1 UNL1 0.1511 36 H -2.4346 -0.7826 -1.3873 H 1 UNL1 0.1760 37 H 1.4258 1.5241 -0.1032 H 1 UNL1 0.3581 38 HA 3.8648 0.2401 1.1784 H 1 UNL1 0.2029 39 H -3.8165 0.8933 -2.6085 H 1 UNL1 0.1696 40 H -2.6695 2.2046 -2.2101 H 1 UNL1 0.1900 41 H -1.8190 -0.2316 -3.7831 H 1 UNL1 0.1546 42 H -0.4086 -0.7214 -2.8330 H 1 UNL1 0.1565 43 H -0.6639 0.9881 -3.2065 H 1 UNL1 0.1692 44 HB1 4.6001 -0.4105 -1.0986 H 1 UNL1 0.1696 45 HB2 3.2760 0.4748 -1.8732 H 1 UNL1 0.1729 46 HD1 3.3100 -1.9415 1.0778 H 1 UNL1 0.1723 47 HD2 1.8927 -1.0718 -2.8979 H 1 UNL1 0.1521 48 H 3.8512 3.6849 -1.0653 H 1 UNL1 0.3550 49 HE1 1.8787 -3.9516 1.1414 H 1 UNL1 0.1493 50 HE2 0.4571 -3.0895 -2.8214 H 1 UNL1 0.1481 51 HZ 0.4337 -4.5250 -0.7980 H 1 UNL1 0.1496 52 H -5.9173 -0.7802 1.7905 H 1 UNL1 0.1850 53 H -4.8230 0.4897 2.3659 H 1 UNL1 0.1876 54 H -6.2930 0.9210 1.4750 H 1 UNL1 0.1884 @BOND 1 1 17 1 2 1 24 1 3 2 13 2 4 3 14 2 5 4 20 1 6 4 48 1 7 5 20 2 8 6 24 2 9 7 9 1 10 7 12 1 11 7 13 am 12 8 14 am 13 8 16 1 14 8 37 1 15 9 10 1 16 9 14 1 17 9 29 1 18 10 11 1 19 10 30 1 20 10 31 1 21 11 12 1 22 11 32 1 23 11 33 1 24 12 34 1 25 12 35 1 26 13 15 1 27 15 17 1 28 15 18 1 29 15 36 1 30 16 19 1 31 16 20 1 32 16 38 1 33 17 39 1 34 17 40 1 35 18 41 1 36 18 42 1 37 18 43 1 38 19 21 1 39 19 44 1 40 19 45 1 41 21 22 ar 42 21 23 ar 43 22 25 ar 44 22 46 1 45 23 26 ar 46 23 47 1 47 24 28 1 48 25 27 ar 49 25 49 1 50 26 27 ar 51 26 50 1 52 27 51 1 53 28 52 1 54 28 53 1 55 28 54 1