@MOLECULE 7-{[(11r)-3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl]amino}heptanoic acid 54 56 0 0 0 SMALL GASTEIGER @ATOM 1 CL -6.4394 2.1443 -0.0401 Cl 1 UNL1111111111 -0.0774 2 S -1.3581 0.9354 -1.1733 S.O2 1 UNL1111111111 2.3869 3 O -0.4222 1.9351 -0.7309 O.2 1 UNL1111111111 -0.8486 4 O -1.9608 1.1203 -2.4792 O.2 1 UNL1111111111 -0.9220 5 O 9.2423 1.5555 -0.0944 O.3 1 UNL1111111111 -0.5735 6 O 8.4702 -0.5141 -0.3700 O.2 1 UNL1111111111 -0.5082 7 N -0.3073 0.1502 1.4323 N.3 1 UNL1111111111 -0.5651 8 N -0.5270 -0.6066 -1.3303 N.pl3 1 UNL1111111111 -0.7129 9 C -1.4567 -0.7739 1.5152 C.3 1 UNL1111111111 0.0348 10 C -2.6924 0.0106 1.1130 C.ar 1 UNL1111111111 0.0418 11 C -1.3547 -1.9402 0.5589 C.ar 1 UNL1111111111 -0.1630 12 C -2.7263 0.7516 -0.0660 C.ar 1 UNL1111111111 -0.3564 13 C -0.9536 -1.8211 -0.7911 C.ar 1 UNL1111111111 0.2774 14 C 1.0071 -0.5013 1.6150 C.3 1 UNL1111111111 -0.0920 15 C 2.0860 0.5482 1.2927 C.3 1 UNL1111111111 -0.2902 16 C 3.4424 -0.1250 1.0752 C.3 1 UNL1111111111 -0.2730 17 C -3.8195 -0.0633 1.9382 C.ar 1 UNL1111111111 -0.1763 18 C 4.5069 0.9260 0.7333 C.3 1 UNL1111111111 -0.2695 19 C -1.7060 -3.1934 1.0641 C.ar 1 UNL1111111111 -0.0992 20 C -3.9002 1.4131 -0.4348 C.ar 1 UNL1111111111 -0.0798 21 C -0.9372 -2.9861 -1.5921 C.ar 1 UNL1111111111 -0.2721 22 C 0.4053 -0.6571 -2.4677 C.3 1 UNL1111111111 -0.2166 23 C 5.8576 0.2538 0.4669 C.3 1 UNL1111111111 -0.2556 24 C -4.9903 0.6009 1.5872 C.ar 1 UNL1111111111 -0.1161 25 C -1.6714 -4.3321 0.2692 C.ar 1 UNL1111111111 -0.2233 26 C -5.0044 1.3273 0.4026 C.ar 1 UNL1111111111 -0.0111 27 C -1.2869 -4.2195 -1.0663 C.ar 1 UNL1111111111 -0.0792 28 C 6.9311 1.3042 0.1693 C.3 1 UNL1111111111 -0.3497 29 C 8.2354 0.6391 -0.1250 C.2 1 UNL1111111111 0.6467 30 H -1.5739 -1.1673 2.5646 H 1 UNL1111111111 0.1304 31 H -0.4203 0.9404 2.0674 H 1 UNL1111111111 0.2723 32 H 1.0842 -1.3551 0.9042 H 1 UNL1111111111 0.1518 33 H 1.1457 -0.9141 2.6345 H 1 UNL1111111111 0.1027 34 H 2.1458 1.3010 2.0970 H 1 UNL1111111111 0.1316 35 H 1.7782 1.1126 0.3816 H 1 UNL1111111111 0.1863 36 H 3.3686 -0.8683 0.2581 H 1 UNL1111111111 0.1399 37 H 3.7403 -0.6914 1.9767 H 1 UNL1111111111 0.1339 38 H -3.7872 -0.6469 2.8571 H 1 UNL1111111111 0.1603 39 H 4.1861 1.5088 -0.1516 H 1 UNL1111111111 0.1424 40 H 4.5954 1.6552 1.5602 H 1 UNL1111111111 0.1381 41 H -2.0123 -3.2872 2.1068 H 1 UNL1111111111 0.1450 42 H -3.9649 1.9810 -1.3761 H 1 UNL1111111111 0.2019 43 H -0.6705 -2.9158 -2.6442 H 1 UNL1111111111 0.1648 44 H 1.0219 0.2641 -2.4843 H 1 UNL1111111111 0.1595 45 H -0.1187 -0.7437 -3.4381 H 1 UNL1111111111 0.1469 46 H 1.1105 -1.4997 -2.3629 H 1 UNL1111111111 0.1429 47 H 5.7754 -0.4577 -0.3798 H 1 UNL1111111111 0.1553 48 H 6.1585 -0.3636 1.3363 H 1 UNL1111111111 0.1490 49 H -5.8709 0.5461 2.2278 H 1 UNL1111111111 0.1673 50 H -1.9447 -5.2988 0.6815 H 1 UNL1111111111 0.1543 51 H -1.2690 -5.1050 -1.7012 H 1 UNL1111111111 0.1468 52 H 6.6355 1.9390 -0.6952 H 1 UNL1111111111 0.1817 53 H 7.0422 2.0119 1.0201 H 1 UNL1111111111 0.1826 54 H 10.1327 1.1751 -0.2881 H 1 UNL1111111111 0.3556 @BOND 1 1 26 1 2 2 3 2 3 2 4 2 4 2 8 1 5 2 12 1 6 5 29 1 7 5 54 1 8 6 29 2 9 7 9 1 10 7 14 1 11 7 31 1 12 8 13 1 13 8 22 1 14 9 10 1 15 9 11 1 16 9 30 1 17 10 12 ar 18 10 17 ar 19 11 13 ar 20 11 19 ar 21 12 20 ar 22 13 21 ar 23 14 15 1 24 14 32 1 25 14 33 1 26 15 16 1 27 15 34 1 28 15 35 1 29 16 18 1 30 16 36 1 31 16 37 1 32 17 24 ar 33 17 38 1 34 18 23 1 35 18 39 1 36 18 40 1 37 19 25 ar 38 19 41 1 39 20 26 ar 40 20 42 1 41 21 27 ar 42 21 43 1 43 22 44 1 44 22 45 1 45 22 46 1 46 23 28 1 47 23 47 1 48 23 48 1 49 24 26 ar 50 24 49 1 51 25 27 ar 52 25 50 1 53 27 51 1 54 28 29 1 55 28 52 1 56 28 53 1