@MOLECULE (5e)-13-chloro-10-[ethoxy(hydroxy)methyl]-14,16-dihydroxy-3,4,7,8,9,10-hexahydro-2-benzazacyclotetradecine-1,11(2h,12h)-dione 54 55 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.6577 -2.3424 0.5988 C.ar 1 UNL111111111 0.3836 2 C 2.0820 -3.6112 0.5554 C.ar 1 UNL111111111 -0.4182 3 C 0.7836 -3.7146 0.0482 C.ar 1 UNL111111111 0.3758 4 C 0.1077 -2.5825 -0.4242 C.ar 1 UNL111111111 -0.2352 5 C 0.6921 -1.3183 -0.3616 C.ar 1 UNL111111111 0.1974 6 C 1.9821 -1.1936 0.1590 C.ar 1 UNL111111111 -0.3202 7 C 2.6052 0.1426 0.3495 C.2 1 UNL111111111 0.6287 8 O 2.3924 0.8543 1.3083 O.2 1 UNL111111111 -0.5175 9 N 3.4292 0.5497 -0.6811 N.am 1 UNL111111111 -0.6034 10 C 4.1023 1.8486 -0.6200 C.3 1 UNL111111111 -0.0512 11 C 3.2389 2.9661 -1.2454 C.3 1 UNL111111111 -0.3103 12 C 2.2181 3.4917 -0.2887 C.2 1 UNL111111111 -0.1500 13 C 1.2121 4.2843 -0.6688 C.2 1 UNL111111111 -0.1884 14 C 0.2000 4.8208 0.2939 C.3 1 UNL111111111 -0.2743 15 C -1.1305 4.0601 0.1513 C.3 1 UNL111111111 -0.2524 16 C -1.0251 2.6483 0.7452 C.3 1 UNL111111111 -0.2715 17 C -1.7776 1.6153 -0.1014 C.3 1 UNL111111111 -0.3054 18 C -1.1456 0.2624 0.1405 C.2 1 UNL111111111 0.5259 19 C -0.0545 -0.1182 -0.8397 C.3 1 UNL111111111 -0.4191 20 O -1.4524 -0.4536 1.0609 O.2 1 UNL111111111 -0.4594 21 C -3.2802 1.5916 0.2653 C.3 1 UNL111111111 0.3857 22 O -3.5142 1.1820 1.5684 O.3 1 UNL111111111 -0.5897 23 O -3.8325 0.7092 -0.6918 O.3 1 UNL111111111 -0.5074 24 C -4.9808 -0.0212 -0.2975 C.3 1 UNL111111111 0.0229 25 C -4.5659 -1.4672 -0.0436 C.3 1 UNL111111111 -0.4779 26 CL -1.4673 -2.7515 -1.0466 Cl 1 UNL111111111 -0.0510 27 O 0.2742 -4.9611 0.0398 O.3 1 UNL111111111 -0.4449 28 O 3.9166 -2.1414 1.0432 O.3 1 UNL111111111 -0.4477 29 H 2.5993 -4.4969 0.9080 H 1 UNL111111111 0.1933 30 H 4.3205 -2.9646 1.4223 H 1 UNL111111111 0.3371 31 H -0.6729 -4.9990 -0.2633 H 1 UNL111111111 0.3446 32 H 0.6202 0.7569 -0.9968 H 1 UNL111111111 0.1958 33 H -0.5107 -0.2969 -1.8422 H 1 UNL111111111 0.2000 34 H 3.6124 -0.0381 -1.4730 H 1 UNL111111111 0.3110 35 H 4.3356 2.0971 0.4448 H 1 UNL111111111 0.1660 36 H 5.0756 1.7738 -1.1522 H 1 UNL111111111 0.1277 37 H 3.9007 3.7970 -1.5688 H 1 UNL111111111 0.1504 38 H 2.7561 2.5953 -2.1717 H 1 UNL111111111 0.1521 39 H 2.3495 3.1845 0.7526 H 1 UNL111111111 0.1747 40 H 1.0623 4.5792 -1.7036 H 1 UNL111111111 0.1363 41 H 0.5599 4.7572 1.3409 H 1 UNL111111111 0.1500 42 H 0.0373 5.9013 0.1078 H 1 UNL111111111 0.1376 43 H -1.9380 4.6221 0.6566 H 1 UNL111111111 0.1367 44 H -1.4178 4.0231 -0.9161 H 1 UNL111111111 0.1372 45 H 0.0460 2.3561 0.8361 H 1 UNL111111111 0.1709 46 H -1.4061 2.6377 1.7875 H 1 UNL111111111 0.1654 47 H -1.7034 1.8748 -1.1873 H 1 UNL111111111 0.1767 48 H -3.7893 2.5740 0.1839 H 1 UNL111111111 0.1303 49 H -2.9678 0.3856 1.7955 H 1 UNL111111111 0.3635 50 H -5.4694 0.4312 0.5836 H 1 UNL111111111 0.1320 51 H -5.6463 0.0722 -1.1765 H 1 UNL111111111 0.1222 52 H -5.3871 -2.0533 0.3788 H 1 UNL111111111 0.1451 53 H -4.2406 -1.9529 -0.9698 H 1 UNL111111111 0.1502 54 H -3.7211 -1.5155 0.6586 H 1 UNL111111111 0.1684 @BOND 1 1 2 ar 2 1 6 ar 3 1 28 1 4 2 3 ar 5 2 29 1 6 3 4 ar 7 3 27 1 8 4 5 ar 9 4 26 1 10 5 6 ar 11 5 19 1 12 6 7 1 13 7 8 2 14 7 9 am 15 9 10 1 16 9 34 1 17 10 11 1 18 10 35 1 19 10 36 1 20 11 12 1 21 11 37 1 22 11 38 1 23 12 13 2 24 12 39 1 25 13 14 1 26 13 40 1 27 14 15 1 28 14 41 1 29 14 42 1 30 15 16 1 31 15 43 1 32 15 44 1 33 16 17 1 34 16 45 1 35 16 46 1 36 17 18 1 37 17 21 1 38 17 47 1 39 18 19 1 40 18 20 2 41 19 32 1 42 19 33 1 43 21 22 1 44 21 23 1 45 21 48 1 46 22 49 1 47 23 24 1 48 24 25 1 49 24 50 1 50 24 51 1 51 25 52 1 52 25 53 1 53 25 54 1 54 27 31 1 55 28 30 1