@MOLECULE 3-[(1'r,3's)-5'-chloro-4-methoxyspiro[1,2-dioxetane-3,2'-tricyclo[3.3.1.1~3,7~]decan]-4-yl]phenyl dihydrogen phosphate 49 53 0 0 0 SMALL GASTEIGER @ATOM 1 CL -0.8076 3.4540 0.2297 Cl 1 UNL1111111111 -0.2369 2 P 3.6727 1.1092 0.1395 P.3 1 UNL1111111111 0.3783 3 O -2.8712 -2.1029 -0.1825 O.3 1 UNL1111111111 -0.1500 4 O -1.8353 -2.9323 0.4384 O.3 1 UNL1111111111 -0.1999 5 O -0.8049 -1.4887 1.9714 O.3 1 UNL1111111111 -0.3846 6 O 3.5794 -0.2625 -0.6991 O.3 1 UNL1111111111 -0.2351 7 O 3.6160 0.5216 1.6185 O.3 1 UNL1111111111 -0.3156 8 O 5.2364 1.3257 -0.0585 O.3 1 UNL1111111111 -0.3031 9 O 2.7725 2.1833 -0.2235 O.2 1 UNL1111111111 -0.2921 10 C -2.0991 -0.8840 0.0281 C.3 1 UNL1111111111 0.1177 11 C -1.8545 -0.1715 -1.3031 C.3 1 UNL1111111111 -0.1259 12 C -2.8345 0.0144 1.0245 C.3 1 UNL1111111111 -0.1154 13 C -1.7956 1.9775 -0.0703 C.3 1 UNL1111111111 0.1889 14 C -3.9761 1.1410 -0.9184 C.3 1 UNL1111111111 -0.0791 15 C -1.0276 1.1052 -1.0608 C.3 1 UNL1111111111 -0.3207 16 C -1.9838 1.2723 1.2705 C.3 1 UNL1111111111 -0.3204 17 C -3.2219 0.2208 -1.8975 C.3 1 UNL1111111111 -0.2881 18 C -4.1954 0.3978 0.4126 C.3 1 UNL1111111111 -0.2941 19 C -3.1364 2.4128 -0.6561 C.3 1 UNL1111111111 -0.3250 20 C -0.9637 -1.7823 0.6202 C.3 1 UNL1111111111 0.3012 21 C 0.3218 -1.9421 -0.1205 C.ar 1 UNL1111111111 -0.0360 22 C 1.3241 -0.9924 0.0796 C.ar 1 UNL1111111111 -0.2546 23 C 0.4987 -3.0079 -0.9980 C.ar 1 UNL1111111111 -0.2055 24 C -0.1340 -2.4982 2.7111 C.3 1 UNL1111111111 -0.1897 25 C 2.4931 -1.0946 -0.6756 C.ar 1 UNL1111111111 0.2987 26 C 1.6969 -3.1247 -1.7061 C.ar 1 UNL1111111111 -0.0935 27 C 2.6908 -2.1674 -1.5696 C.ar 1 UNL1111111111 -0.2536 28 H -1.3174 -0.8453 -2.0088 H 1 UNL1111111111 0.1553 29 H -2.9973 -0.5335 1.9828 H 1 UNL1111111111 0.1632 30 H -4.9585 1.4267 -1.3562 H 1 UNL1111111111 0.1308 31 H -0.0164 0.8604 -0.6809 H 1 UNL1111111111 0.1766 32 H -0.8504 1.6367 -2.0151 H 1 UNL1111111111 0.1621 33 H -2.4730 1.9295 2.0118 H 1 UNL1111111111 0.1558 34 H -1.0071 0.9947 1.7182 H 1 UNL1111111111 0.1710 35 H -3.8177 -0.6873 -2.1064 H 1 UNL1111111111 0.1488 36 H -3.0825 0.7242 -2.8704 H 1 UNL1111111111 0.1427 37 H -4.7709 1.0262 1.1146 H 1 UNL1111111111 0.1424 38 H -4.8041 -0.5128 0.2486 H 1 UNL1111111111 0.1508 39 H -2.9946 2.9859 -1.5898 H 1 UNL1111111111 0.1526 40 H -3.6767 3.0922 0.0298 H 1 UNL1111111111 0.1524 41 H 1.1624 -0.2082 0.8245 H 1 UNL1111111111 0.1927 42 H -0.2903 -3.7470 -1.1352 H 1 UNL1111111111 0.1711 43 H 0.9257 -2.5273 2.4358 H 1 UNL1111111111 0.1368 44 H -0.6050 -3.4742 2.5631 H 1 UNL1111111111 0.1339 45 H -0.2623 -2.1624 3.7473 H 1 UNL1111111111 0.1461 46 H 1.8467 -3.9726 -2.3753 H 1 UNL1111111111 0.1474 47 H 3.6184 -2.2317 -2.1330 H 1 UNL1111111111 0.1668 48 H 3.5269 1.3104 2.2712 H 1 UNL1111111111 0.3174 49 H 5.3723 1.8037 -0.9641 H 1 UNL1111111111 0.3175 @BOND 1 1 13 1 2 2 6 1 3 2 7 1 4 2 8 1 5 2 9 2 6 3 4 1 7 3 10 1 8 4 20 1 9 5 20 1 10 5 24 1 11 6 25 1 12 7 48 1 13 8 49 1 14 10 11 1 15 10 12 1 16 10 20 1 17 11 15 1 18 11 17 1 19 11 28 1 20 12 16 1 21 12 18 1 22 12 29 1 23 13 15 1 24 13 16 1 25 13 19 1 26 14 17 1 27 14 18 1 28 14 19 1 29 14 30 1 30 15 31 1 31 15 32 1 32 16 33 1 33 16 34 1 34 17 35 1 35 17 36 1 36 18 37 1 37 18 38 1 38 19 39 1 39 19 40 1 40 20 21 1 41 21 22 ar 42 21 23 ar 43 22 25 ar 44 22 41 1 45 23 26 ar 46 23 42 1 47 24 43 1 48 24 44 1 49 24 45 1 50 25 27 ar 51 26 27 ar 52 26 46 1 53 27 47 1