@MOLECULE (6r,7r)-7-{[{[(diaminomethylene)carbamoyl]amino}(phenyl)acetyl]amino}-3-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 59 62 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.6212 -0.5179 1.6697 S.3 1 UNL111111111 -0.0084 2 S 4.7704 -0.5723 -0.6885 S.3 1 UNL111111111 0.1651 3 O 0.1227 3.4338 -0.6389 O.2 1 UNL111111111 -0.3556 4 O 3.8219 3.5796 0.2161 O.3 1 UNL111111111 -0.5169 5 O -3.3655 1.0610 1.9645 O.2 1 UNL111111111 -0.4927 6 OXT 3.0923 2.4512 -1.5746 O.2 1 UNL111111111 -0.4439 7 O -5.6562 -0.1989 -1.9743 O.2 1 UNL111111111 -0.6424 8 N 1.1920 2.0883 1.0081 N.am 1 UNL111111111 -0.4910 9 N -1.7604 1.0079 0.3754 N.am 1 UNL111111111 -0.5879 10 N -5.2118 -0.0506 0.2533 N.am 1 UNL111111111 -0.5649 11 N 7.2280 -1.6141 -1.5640 N.ar 1 UNL111111111 -0.1660 12 N 7.3821 -0.4119 0.2718 N.ar 1 UNL111111111 -0.2862 13 N -7.4015 0.1972 -0.4728 N.am 1 UNL111111111 -0.6993 14 N 8.5360 -1.5857 -1.1593 N.ar 1 UNL111111111 -0.1022 15 N 8.5938 -0.8731 -0.0774 N.ar 1 UNL111111111 -0.0120 16 N -8.0297 1.0006 -2.6686 N.pl3 1 UNL111111111 -0.6564 17 N -9.6314 0.6246 -0.9664 N.pl3 1 UNL111111111 -0.6167 18 C 0.3127 1.2686 1.8852 C.3 1 UNL111111111 -0.0478 19 CA -0.9367 1.8934 1.1429 C.3 1 UNL111111111 0.0185 20 C 0.1136 2.6597 0.2531 C.2 1 UNL111111111 0.5381 21 CA 2.4691 1.7078 0.6315 C.2 1 UNL111111111 0.1045 22 C 3.1121 0.6074 1.0923 C.2 1 UNL111111111 -0.0796 23 C 2.4457 -0.4462 1.9039 C.3 1 UNL111111111 -0.3048 24 C 4.5660 0.4222 0.8507 C.3 1 UNL111111111 -0.3272 25 C -2.9880 0.6231 0.9039 C.2 1 UNL111111111 0.5695 26 C 3.1191 2.5945 -0.3842 C.2 1 UNL111111111 0.6163 27 CA -3.8042 -0.3367 0.0211 C.3 1 UNL111111111 0.0105 28 C -3.4121 -1.7583 0.3479 C.ar 1 UNL111111111 -0.0476 29 C -2.3497 -2.3226 -0.3624 C.ar 1 UNL111111111 -0.1520 30 C -4.1048 -2.5185 1.2875 C.ar 1 UNL111111111 -0.1271 31 C 6.4898 -0.8646 -0.6562 C.ar 1 UNL111111111 0.0412 32 C -6.0685 -0.0401 -0.8290 C.2 1 UNL111111111 0.7519 33 C -1.9906 -3.6485 -0.1404 C.ar 1 UNL111111111 -0.1359 34 C -3.7507 -3.8504 1.5007 C.ar 1 UNL111111111 -0.1421 35 C -2.6962 -4.4149 0.7865 C.ar 1 UNL111111111 -0.1423 36 C 6.8234 -2.3303 -2.7580 C.3 1 UNL111111111 -0.2323 37 C -8.2932 0.5899 -1.3689 C.2 1 UNL111111111 0.6313 38 H 0.3941 1.5651 2.9486 H 1 UNL111111111 0.1787 39 HA -1.5442 2.5566 1.8073 H 1 UNL111111111 0.2059 40 H -1.3660 0.5773 -0.4490 H 1 UNL111111111 0.3275 41 H 2.6653 -0.3075 2.9839 H 1 UNL111111111 0.1778 42 H 2.8182 -1.4604 1.6339 H 1 UNL111111111 0.1883 43 H 5.1116 1.3900 0.7551 H 1 UNL111111111 0.1995 44 H 5.0742 -0.0778 1.7059 H 1 UNL111111111 0.1966 45 HA -3.5851 -0.1417 -1.0790 H 1 UNL111111111 0.2066 46 H -5.5399 0.0726 1.2024 H 1 UNL111111111 0.3442 47 H 4.2764 4.1841 -0.4316 H 1 UNL111111111 0.3576 48 H -1.8074 -1.7371 -1.1020 H 1 UNL111111111 0.1483 49 H -4.9317 -2.0853 1.8504 H 1 UNL111111111 0.1598 50 H -1.1637 -4.0866 -0.6972 H 1 UNL111111111 0.1491 51 H -4.3023 -4.4506 2.2215 H 1 UNL111111111 0.1508 52 H -2.4231 -5.4551 0.9473 H 1 UNL111111111 0.1464 53 H 7.7033 -2.8212 -3.2294 H 1 UNL111111111 0.1880 54 H 6.3793 -1.6355 -3.4995 H 1 UNL111111111 0.1738 55 H 6.0872 -3.1184 -2.5066 H 1 UNL111111111 0.1685 56 H -8.7623 1.0583 -3.3485 H 1 UNL111111111 0.3042 57 H -7.1045 0.7677 -3.0332 H 1 UNL111111111 0.3492 58 H -9.8069 0.4182 0.0082 H 1 UNL111111111 0.3171 59 H -10.2213 1.3421 -1.3462 H 1 UNL111111111 0.2966 @BOND 1 1 18 1 2 1 23 1 3 2 24 1 4 2 31 1 5 3 20 2 6 4 26 1 7 4 47 1 8 5 25 2 9 6 26 2 10 7 32 2 11 8 18 1 12 8 20 am 13 8 21 1 14 9 19 1 15 9 25 am 16 9 40 1 17 10 27 1 18 10 32 am 19 10 46 1 20 11 14 ar 21 11 31 ar 22 11 36 1 23 12 15 ar 24 12 31 ar 25 13 32 1 26 13 37 2 27 14 15 ar 28 16 37 1 29 16 56 1 30 16 57 1 31 17 37 1 32 17 58 1 33 17 59 1 34 18 19 1 35 18 38 1 36 19 20 1 37 19 39 1 38 21 22 2 39 21 26 1 40 22 23 1 41 22 24 1 42 23 41 1 43 23 42 1 44 24 43 1 45 24 44 1 46 25 27 1 47 27 28 1 48 27 45 1 49 28 29 ar 50 28 30 ar 51 29 33 ar 52 29 48 1 53 30 34 ar 54 30 49 1 55 33 35 ar 56 33 50 1 57 34 35 ar 58 34 51 1 59 35 52 1 60 36 53 1 61 36 54 1 62 36 55 1