@MOLECULE cilastatin 50 50 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.1514 -1.1927 0.6102 S.3 1 UNK1111111111 -0.0240 2 O 2.9092 1.3716 0.7463 O.2 0 UNK0 -0.5204 3 O 0.4916 1.6784 1.6750 O.3 1 UNK1 -0.6245 4 O 1.2153 3.6756 0.9696 O.2 1 UNK1 -0.4429 5 O -0.5242 -0.7856 1.3383 O.3 1 UNK1 -0.5535 6 O -0.2828 -1.0279 -0.8767 O.2 1 UNK1 -0.5815 7 N 1.6209 1.0122 -1.0734 N.am 1 UNK1 -0.5382 8 N -1.1164 -3.7669 -0.2607 N.3 1 UNK1 -0.6383 9 C 3.6464 -1.6797 -0.1146 C.3 0 UNK0 0.0933 10 C 3.6511 -0.3057 -0.8023 C.3 0 UNK0 -0.3145 11 C 4.8121 -0.7355 0.0677 C.3 0 UNK0 -0.3016 12 C 3.8034 -2.8852 -1.0037 C.3 0 UNK0 -0.4510 13 C 2.7205 -1.9157 1.0483 C.3 0 UNK0 -0.4570 14 C 2.7401 0.7426 -0.2798 C.2 0 UNK0 0.6079 15 C 0.6371 1.9235 -0.6285 C.2 1 UNK1 0.0567 16 C -0.4571 2.1942 -1.3621 C.2 1 UNK1 -0.1682 17 C -1.5343 3.1353 -0.9469 C.3 1 UNK1 -0.2696 18 C 0.8774 2.5620 0.6969 C.2 1 UNK1 0.6800 19 C -2.9118 2.4540 -1.0062 C.3 1 UNK1 -0.2607 20 C -2.9542 1.2444 -0.0631 C.3 1 UNK1 -0.2728 21 C -4.1788 0.3796 -0.3329 C.3 1 UNK1 -0.3205 22 C -3.0479 -2.2794 -0.3643 C.3 1 UNK1 -0.3517 23 C -1.7198 -2.5686 0.3461 C.3 1 UNK1 0.0128 24 C -0.7805 -1.3739 0.1691 C.2 1 UNK1 0.6051 25 H 3.7911 -0.2669 -1.8886 H 0 UNK0 0.1834 26 H 4.9622 -0.2366 1.0277 H 0 UNK0 0.1812 27 H 5.7764 -0.9499 -0.3822 H 0 UNK0 0.1602 28 H 4.1440 -3.7581 -0.4307 H 0 UNK0 0.1570 29 H 4.5338 -2.7247 -1.8065 H 0 UNK0 0.1533 30 H 2.8509 -3.1543 -1.4787 H 0 UNK0 0.1521 31 H 2.6985 -1.0632 1.7450 H 0 UNK0 0.1713 32 H 3.0302 -2.7922 1.6321 H 0 UNK0 0.1563 33 H 1.6896 -2.0845 0.7128 H 0 UNK0 0.1501 34 H 1.3255 0.3403 -1.7790 H 1 UNK1 0.3347 35 H -0.6167 1.7124 -2.3290 H 1 UNK1 0.1673 36 H -1.5264 4.0237 -1.6174 H 1 UNK1 0.1589 37 H -1.3666 3.5461 0.0710 H 1 UNK1 0.1566 38 H -3.1283 2.1395 -2.0446 H 1 UNK1 0.1372 39 H -3.7015 3.1808 -0.7408 H 1 UNK1 0.1390 40 H -2.0228 0.6573 -0.1937 H 1 UNK1 0.1533 41 H -2.9351 1.5868 0.9916 H 1 UNK1 0.1560 42 H -4.2889 0.1751 -1.4123 H 1 UNK1 0.1527 43 H -5.1032 0.9066 -0.0231 H 1 UNK1 0.1646 44 H 0.8008 1.9211 2.5796 H 1 UNK1 0.3772 45 H -3.5912 -3.2424 -0.5055 H 1 UNK1 0.1934 46 H -2.8805 -1.8784 -1.3792 H 1 UNK1 0.1686 47 H -1.8808 -2.7742 1.4421 H 1 UNK1 0.1905 48 H -0.8747 -3.6278 -1.2306 H 1 UNK1 0.2658 49 H -0.3112 -4.0957 0.2465 H 1 UNK1 0.2612 50 H -0.0052 0.0736 1.3044 H 1 UNK1 0.3935 @BOND 1 1 21 1 2 1 22 1 3 2 14 2 4 3 18 1 5 3 44 1 6 4 18 2 7 5 24 1 8 5 50 1 9 6 24 2 10 7 14 am 11 7 15 1 12 7 34 1 13 8 23 1 14 8 48 1 15 8 49 1 16 9 10 1 17 9 11 1 18 9 12 1 19 9 13 1 20 10 11 1 21 10 14 1 22 10 25 1 23 11 26 1 24 11 27 1 25 12 28 1 26 12 29 1 27 12 30 1 28 13 31 1 29 13 32 1 30 13 33 1 31 15 16 2 32 15 18 1 33 16 17 1 34 16 35 1 35 17 19 1 36 17 36 1 37 17 37 1 38 19 20 1 39 19 38 1 40 19 39 1 41 20 21 1 42 20 40 1 43 20 41 1 44 21 42 1 45 21 43 1 46 22 23 1 47 22 45 1 48 22 46 1 49 23 24 1 50 23 47 1