@MOLECULE 1,1'-spirobi(indane-5,6-diol), 3,3,3',3'-tetramethyl- 49 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7874 -2.4322 2.2540 O.3 1 UNL1111111111 -0.4488 2 O 2.7416 -2.6568 -2.0619 O.3 1 UNL1111111111 -0.4945 3 O -4.8449 -1.8034 0.5891 O.3 1 UNL1111111111 -0.4938 4 O 4.8154 -1.8621 -0.4931 O.3 1 UNL1111111111 -0.4535 5 C 0.0033 0.9705 0.0412 C.3 1 UNL1111111111 0.0596 6 C -0.3433 1.8530 -1.1922 C.3 1 UNL1111111111 -0.3097 7 C 0.4045 1.8081 1.2875 C.3 1 UNL1111111111 -0.3084 8 C -1.8357 1.5849 -1.5604 C.3 1 UNL1111111111 0.1062 9 C 1.9443 1.6396 1.4789 C.3 1 UNL1111111111 0.1077 10 C -1.2363 0.1567 0.2847 C.ar 1 UNL1111111111 -0.0348 11 C 1.2070 0.1104 -0.2262 C.ar 1 UNL1111111111 -0.0415 12 C -2.2636 0.4988 -0.6044 C.ar 1 UNL1111111111 -0.0338 13 C 2.2969 0.4852 0.5714 C.ar 1 UNL1111111111 -0.0243 14 C -2.6828 2.8426 -1.3419 C.3 1 UNL1111111111 -0.4585 15 C -1.9586 1.1048 -3.0096 C.3 1 UNL1111111111 -0.4563 16 C 2.2786 1.3178 2.9363 C.3 1 UNL1111111111 -0.4584 17 C 2.6884 2.8990 1.0229 C.3 1 UNL1111111111 -0.4593 18 C -1.4054 -0.8294 1.2457 C.ar 1 UNL1111111111 -0.1948 19 C 1.2964 -0.9411 -1.1280 C.ar 1 UNL1111111111 -0.2246 20 C -3.4992 -0.1316 -0.5486 C.ar 1 UNL1111111111 -0.2428 21 C 3.5141 -0.1728 0.4805 C.ar 1 UNL1111111111 -0.2102 22 C -2.6440 -1.4699 1.3073 C.ar 1 UNL1111111111 0.1971 23 C 2.5143 -1.6094 -1.2145 C.ar 1 UNL1111111111 0.1277 24 C -3.6763 -1.1169 0.4192 C.ar 1 UNL1111111111 0.1309 25 C 3.6154 -1.2314 -0.4248 C.ar 1 UNL1111111111 0.2024 26 H -0.1703 2.9177 -0.9810 H 1 UNL1111111111 0.1457 27 H 0.3198 1.6093 -2.0379 H 1 UNL1111111111 0.1527 28 H 0.1234 2.8635 1.1773 H 1 UNL1111111111 0.1441 29 H -0.1381 1.4476 2.1778 H 1 UNL1111111111 0.1550 30 H -3.7396 2.6552 -1.5600 H 1 UNL1111111111 0.1453 31 H -2.6214 3.1848 -0.3018 H 1 UNL1111111111 0.1525 32 H -2.3527 3.6638 -1.9860 H 1 UNL1111111111 0.1449 33 H -1.3949 0.1782 -3.1701 H 1 UNL1111111111 0.1504 34 H -3.0010 0.9029 -3.2770 H 1 UNL1111111111 0.1444 35 H -1.5773 1.8542 -3.7110 H 1 UNL1111111111 0.1462 36 H 3.3591 1.2101 3.0843 H 1 UNL1111111111 0.1483 37 H 1.9305 2.1075 3.6097 H 1 UNL1111111111 0.1446 38 H 1.8130 0.3763 3.2534 H 1 UNL1111111111 0.1550 39 H 2.4427 3.1495 -0.0158 H 1 UNL1111111111 0.1502 40 H 2.4345 3.7619 1.6460 H 1 UNL1111111111 0.1436 41 H 3.7743 2.7597 1.0750 H 1 UNL1111111111 0.1498 42 H -0.6063 -1.1105 1.9290 H 1 UNL1111111111 0.1858 43 H 0.4425 -1.2318 -1.7320 H 1 UNL1111111111 0.1688 44 H -4.2961 0.1355 -1.2332 H 1 UNL1111111111 0.1606 45 H 4.3697 0.1074 1.0883 H 1 UNL1111111111 0.1762 46 H -3.6949 -2.8341 2.2125 H 1 UNL1111111111 0.3387 47 H 1.9049 -2.9668 -2.4827 H 1 UNL1111111111 0.3373 48 H -5.5037 -1.5757 -0.1081 H 1 UNL1111111111 0.3358 49 H 4.7811 -2.6131 -1.1431 H 1 UNL1111111111 0.3404 @BOND 1 1 22 1 2 1 46 1 3 2 23 1 4 2 47 1 5 3 24 1 6 3 48 1 7 4 25 1 8 4 49 1 9 5 6 1 10 5 7 1 11 5 10 1 12 5 11 1 13 6 8 1 14 6 26 1 15 6 27 1 16 7 9 1 17 7 28 1 18 7 29 1 19 8 12 1 20 8 14 1 21 8 15 1 22 9 13 1 23 9 16 1 24 9 17 1 25 10 12 ar 26 10 18 ar 27 11 13 ar 28 11 19 ar 29 12 20 ar 30 13 21 ar 31 14 30 1 32 14 31 1 33 14 32 1 34 15 33 1 35 15 34 1 36 15 35 1 37 16 36 1 38 16 37 1 39 16 38 1 40 17 39 1 41 17 40 1 42 17 41 1 43 18 22 ar 44 18 42 1 45 19 23 ar 46 19 43 1 47 20 24 ar 48 20 44 1 49 21 25 ar 50 21 45 1 51 22 24 ar 52 23 25 ar