@MOLECULE cilastatin 50 50 0 0 0 SMALL GASTEIGER @ATOM 1 S 3.5814 -0.6908 -0.8606 S.3 1 UNK11 -0.0396 2 O -1.6109 -0.2737 1.4710 O.2 0 UNK0 -0.5178 3 O 0.2242 1.8503 2.5178 O.3 1 UNK1 -0.5621 4 O -1.9560 2.3080 2.3408 O.2 1 UNK1 -0.4551 5 O 0.4756 -3.1625 -0.4478 O.3 1 UNK1 -0.5990 6 O 2.2832 -3.7150 0.7319 O.2 1 UNK1 -0.4639 7 N -1.2335 0.9721 -0.3738 N.am 1 UNK1 -0.5659 8 N 0.8457 -1.3103 2.1334 N.3 1 UNK1 -0.6229 9 C -3.8000 -0.9078 -1.1594 C.3 0 UNK0 0.0885 10 C -2.3834 -1.1526 -0.6282 C.3 0 UNK0 -0.3205 11 C -3.5498 -1.9617 -0.1046 C.3 0 UNK0 -0.2983 12 C -4.0913 -1.3413 -2.5718 C.3 0 UNK0 -0.4502 13 C -4.5171 0.3554 -0.7615 C.3 0 UNK0 -0.4573 14 C -1.7510 -0.1565 0.2719 C.2 0 UNK0 0.6162 15 C -0.5969 2.0009 0.3459 C.2 1 UNK1 0.0571 16 C 0.2254 2.9169 -0.1939 C.2 1 UNK1 -0.1685 17 C 0.6129 2.9887 -1.6308 C.3 1 UNK1 -0.2646 18 C -0.9167 2.0539 1.8033 C.2 1 UNK1 0.6454 19 C 2.1374 3.1341 -1.7823 C.3 1 UNK1 -0.2635 20 C 2.9166 2.0209 -1.0645 C.3 1 UNK1 -0.2653 21 C 2.6375 0.6523 -1.6753 C.3 1 UNK1 -0.3187 22 C 2.8245 -0.7951 0.7986 C.3 1 UNK1 -0.3312 23 C 1.4164 -1.3959 0.7660 C.3 1 UNK1 -0.0085 24 C 1.5039 -2.8682 0.4028 C.2 1 UNK1 0.6334 25 H -1.6491 -1.6590 -1.2715 H 0 UNK0 0.1976 26 H -3.8904 -1.7972 0.9186 H 0 UNK0 0.1777 27 H -3.6201 -3.0177 -0.3497 H 0 UNK0 0.1644 28 H -5.1507 -1.6091 -2.6894 H 0 UNK0 0.1581 29 H -3.5042 -2.2185 -2.8726 H 0 UNK0 0.1530 30 H -3.8757 -0.5414 -3.2915 H 0 UNK0 0.1513 31 H -4.3863 0.5973 0.3043 H 0 UNK0 0.1690 32 H -5.5986 0.2693 -0.9322 H 0 UNK0 0.1598 33 H -4.1640 1.2227 -1.3328 H 0 UNK0 0.1517 34 H -1.3500 1.0947 -1.3705 H 1 UNK1 0.3220 35 H 0.6734 3.6880 0.4394 H 1 UNK1 0.1738 36 H 0.1117 3.8624 -2.1039 H 1 UNK1 0.1533 37 H 0.2727 2.1087 -2.2094 H 1 UNK1 0.1379 38 H 2.4595 4.1170 -1.3860 H 1 UNK1 0.1412 39 H 2.4012 3.1462 -2.8569 H 1 UNK1 0.1372 40 H 3.9998 2.2538 -1.1121 H 1 UNK1 0.1465 41 H 2.6604 2.0308 0.0143 H 1 UNK1 0.1530 42 H 2.9338 0.6283 -2.7416 H 1 UNK1 0.1597 43 H 1.5575 0.4221 -1.6473 H 1 UNK1 0.1531 44 H 0.0796 1.8935 3.4993 H 1 UNK1 0.3607 45 H 3.4938 -1.4262 1.4283 H 1 UNK1 0.2003 46 H 2.8105 0.1966 1.2899 H 1 UNK1 0.1733 47 H 0.7737 -0.8661 0.0095 H 1 UNK1 0.1435 48 H 0.6244 -0.3443 2.3532 H 1 UNK1 0.2722 49 H -0.0204 -1.8329 2.2068 H 1 UNK1 0.2674 50 H 0.4662 -4.1005 -0.7487 H 1 UNK1 0.3549 @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