@MOLECULE (2s,3s)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydronaphtho[1,2-b][1,4]thiazepin-3-yl acetate 55 58 0 0 0 SMALL USER_CHARGES @ATOM 1 S -0.1890 0.8635 0.8653 S.3 1 UNL111111 -0.0031 2 O 2.0724 -0.5808 -1.9416 O.3 1 UNL111111 -0.5345 3 O 0.9143 -2.3888 -0.2736 O.2 1 UNL111111 -0.5149 4 O 6.1004 1.0048 1.7699 O.3 1 UNL111111 -0.3704 5 O 1.0059 -1.4046 -3.7973 O.2 1 UNL111111 -0.7045 6 N -1.1604 -1.6089 -0.6269 N.am 1 UNL111111 -0.5031 7 N -2.7560 -3.1105 2.0928 N.3 1 UNL111111 -0.3927 8 C 0.9906 0.9386 -0.5589 C.3 1 UNL111111 -0.1993 9 C 0.7989 -0.2773 -1.4962 C.3 1 UNL111111 0.0898 10 C -2.0302 -0.5066 -0.6122 C.ar 1 UNL111111 0.2853 11 C 0.2441 -1.4911 -0.7286 C.2 1 UNL111111 0.5712 12 C -1.7176 0.6954 0.0056 C.ar 1 UNL111111 -0.2499 13 C -1.6708 -2.8922 -0.1077 C.3 1 UNL111111 -0.0512 14 C 2.3452 0.9628 0.0605 C.ar 1 UNL111111 0.0826 15 C -2.6408 1.7798 0.0048 C.ar 1 UNL111111 0.0684 16 C -1.4361 -3.0187 1.4219 C.3 1 UNL111111 -0.1510 17 C -3.2929 -0.6578 -1.2719 C.ar 1 UNL111111 -0.2049 18 C -3.8916 1.6051 -0.6293 C.ar 1 UNL111111 -0.0632 19 C -4.1908 0.3687 -1.2730 C.ar 1 UNL111111 -0.0872 20 C 2.9658 -0.2432 0.4419 C.ar 1 UNL111111 -0.0296 21 C 3.0017 2.1857 0.2514 C.ar 1 UNL111111 -0.1126 22 C -2.3654 3.0305 0.6222 C.ar 1 UNL111111 -0.1697 23 C -4.8366 2.6630 -0.6321 C.ar 1 UNL111111 -0.1308 24 C 4.2278 -0.2505 1.0290 C.ar 1 UNL111111 -0.2249 25 C 4.2697 2.2285 0.8419 C.ar 1 UNL111111 -0.2256 26 C -3.2958 4.0401 0.6092 C.ar 1 UNL111111 -0.1396 27 C -4.5460 3.8587 -0.0246 C.ar 1 UNL111111 -0.1720 28 C -2.6464 -3.8648 3.3609 C.3 1 UNL111111 -0.2834 29 C -3.3257 -1.7707 2.3490 C.3 1 UNL111111 -0.2859 30 C 2.1096 -1.2457 -3.2507 C.2 1 UNL111111 0.2492 31 C 4.7901 1.0012 1.1830 C.ar 1 UNL111111 0.1952 32 C 3.3595 -1.5607 -3.6166 C.3 1 UNL111111 -0.0863 33 C 7.1578 0.9144 2.2169 C.3 1 UNL111111 0.7914 34 H 0.8013 1.8646 -1.1555 H 1 UNL111111 0.1828 35 H 0.1240 -0.0489 -2.3701 H 1 UNL111111 0.2017 36 H -2.7504 -3.0079 -0.3453 H 1 UNL111111 0.1605 37 H -1.1325 -3.7129 -0.6411 H 1 UNL111111 0.1676 38 H -0.8482 -3.9396 1.6171 H 1 UNL111111 0.1429 39 H -0.8106 -2.1815 1.7947 H 1 UNL111111 0.1415 40 H -3.4995 -1.5944 -1.7951 H 1 UNL111111 0.1857 41 H -5.1526 0.2652 -1.7772 H 1 UNL111111 0.1559 42 H 2.4759 -1.2198 0.2366 H 1 UNL111111 0.2564 43 H 2.5285 3.1229 -0.0621 H 1 UNL111111 0.1849 44 H -1.4076 3.1970 1.1144 H 1 UNL111111 0.1663 45 H -5.7947 2.5106 -1.1262 H 1 UNL111111 0.1512 46 H 4.7046 -1.1813 1.3164 H 1 UNL111111 0.1857 47 H 4.7894 3.1661 0.9992 H 1 UNL111111 0.1716 48 H -3.0808 4.9950 1.0840 H 1 UNL111111 0.1430 49 H -5.2638 4.6749 -0.0218 H 1 UNL111111 0.1481 50 H -1.9642 -3.4199 4.0989 H 1 UNL111111 0.1137 51 H -2.3047 -4.8891 3.1378 H 1 UNL111111 0.1439 52 H -3.6465 -3.9490 3.8161 H 1 UNL111111 0.1419 53 H -2.7348 -1.1456 3.0340 H 1 UNL111111 0.1183 54 H -3.4257 -1.2315 1.3916 H 1 UNL111111 0.1530 55 H -4.3393 -1.8850 2.7644 H 1 UNL111111 0.1403 @BOND 1 5 30 2 2 32 30 1 3 30 2 1 4 35 9 1 5 2 9 1 6 40 17 1 7 41 19 1 8 9 11 1 9 9 8 1 10 17 19 ar 11 17 10 ar 12 19 18 ar 13 34 8 1 14 45 23 1 15 11 6 am 16 11 3 2 17 37 13 1 18 6 10 1 19 6 13 1 20 10 12 ar 21 18 23 ar 22 18 15 ar 23 23 27 ar 24 8 14 1 25 8 1 1 26 36 13 1 27 13 16 1 28 43 21 1 29 12 15 ar 30 12 1 1 31 15 22 ar 32 27 49 1 33 27 26 ar 34 14 21 ar 35 14 20 ar 36 42 20 1 37 21 25 ar 38 20 24 ar 39 22 26 ar 40 22 44 1 41 26 48 1 42 25 47 1 43 25 31 ar 44 24 31 ar 45 24 46 1 46 31 4 1 47 54 29 1 48 16 38 1 49 16 39 1 50 16 7 1 51 4 33 1 52 7 29 1 53 7 28 1 54 29 55 1 55 29 53 1 56 51 28 1 57 28 52 1 58 28 50 1