@MOLECULE (5e)-13-chloro-14,16-dihydroxy-3,4,7,8,9,10-hexahydro-1h-2-benzoxacyclotetradecine-1,11(12h)-dione 42 43 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.4737 1.4310 -0.6602 C.2 1 UNL1111 0.6495 2 C 0.8657 1.0624 -0.2050 C.ar 1 UNL1111 -0.3880 3 C 1.9342 1.9808 -0.2436 C.ar 1 UNL1111 0.4224 4 C 3.2516 1.6001 0.0274 C.ar 1 UNL1111 -0.3762 5 C 3.4862 0.2728 0.3771 C.ar 1 UNL1111 0.3817 6 C 2.4211 -0.6379 0.4924 C.ar 1 UNL1111 -0.2477 7 C 1.1158 -0.2603 0.2047 C.ar 1 UNL1111 0.2300 8 C -0.0005 -1.2390 0.3534 C.3 1 UNL1111 -0.4280 9 C -0.0745 -2.1678 -0.8458 C.2 1 UNL1111 0.5071 10 C -1.3011 -3.0404 -0.9594 C.3 1 UNL1111 -0.3808 11 C -2.5996 -2.2287 -0.9076 C.3 1 UNL1111 -0.2659 12 C -3.2430 -2.2513 0.4855 C.3 1 UNL1111 -0.2593 13 C -4.3058 -1.1474 0.6242 C.3 1 UNL1111 -0.2795 14 C -3.6888 0.1587 1.0133 C.2 1 UNL1111 -0.1760 15 C -3.6190 1.2050 0.1855 C.2 1 UNL1111 -0.1440 16 C -3.0707 2.5336 0.5963 C.3 1 UNL1111 -0.3226 17 C -2.1420 3.1306 -0.4630 C.3 1 UNL1111 0.0128 18 O -0.8096 2.6833 -0.2154 O.3 1 UNL1111 -0.4882 19 O -1.2312 0.7952 -1.3441 O.2 1 UNL1111 -0.4857 20 O 1.7747 3.2755 -0.5635 O.3 1 UNL1111 -0.4493 21 O 4.7737 -0.0382 0.6112 O.3 1 UNL1111 -0.4376 22 CL 2.7535 -2.2416 0.9608 Cl 1 UNL1111 -0.0563 23 O 0.8177 -2.2294 -1.6492 O.2 1 UNL1111 -0.4346 24 H 4.0657 2.3193 -0.0376 H 1 UNL1111 0.2092 25 H -0.9835 -0.7260 0.4870 H 1 UNL1111 0.2018 26 H 0.1091 -1.8470 1.2794 H 1 UNL1111 0.1910 27 H -1.2796 -3.8156 -0.1690 H 1 UNL1111 0.1642 28 H -1.2482 -3.6044 -1.9172 H 1 UNL1111 0.1744 29 H -3.3169 -2.6230 -1.6529 H 1 UNL1111 0.1421 30 H -2.4150 -1.1795 -1.2280 H 1 UNL1111 0.1741 31 H -2.4793 -2.1372 1.2762 H 1 UNL1111 0.1364 32 H -3.7084 -3.2395 0.6628 H 1 UNL1111 0.1343 33 H -5.0512 -1.4432 1.3917 H 1 UNL1111 0.1414 34 H -4.8829 -1.0593 -0.3180 H 1 UNL1111 0.1466 35 H -3.3110 0.1984 2.0323 H 1 UNL1111 0.1409 36 H -3.9721 1.1491 -0.8439 H 1 UNL1111 0.1533 37 H -2.5231 2.4680 1.5616 H 1 UNL1111 0.1656 38 H -3.9153 3.2303 0.7896 H 1 UNL1111 0.1578 39 H -2.0338 4.2264 -0.3583 H 1 UNL1111 0.1359 40 H -2.4430 2.8745 -1.4948 H 1 UNL1111 0.1471 41 H 0.8078 3.5309 -0.6075 H 1 UNL1111 0.3570 42 H 4.9227 -1.0041 0.7978 H 1 UNL1111 0.3432 @BOND 1 1 2 1 2 1 18 1 3 1 19 2 4 2 3 ar 5 2 7 ar 6 3 4 ar 7 3 20 1 8 4 5 ar 9 4 24 1 10 5 6 ar 11 5 21 1 12 6 7 ar 13 6 22 1 14 7 8 1 15 8 9 1 16 8 25 1 17 8 26 1 18 9 10 1 19 9 23 2 20 10 11 1 21 10 27 1 22 10 28 1 23 11 12 1 24 11 29 1 25 11 30 1 26 12 13 1 27 12 31 1 28 12 32 1 29 13 14 1 30 13 33 1 31 13 34 1 32 14 15 2 33 14 35 1 34 15 16 1 35 15 36 1 36 16 17 1 37 16 37 1 38 16 38 1 39 17 18 1 40 17 39 1 41 17 40 1 42 20 41 1 43 21 42 1