@MOLECULE 4-tert-butyl-1-phenyl-2,6,7-trioxabicyclo[2.2.2]octane 38 40 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1801 -1.3607 0.0003 O.3 1 UNL1111111111 -0.4489 2 O 0.2094 0.6303 1.1483 O.3 1 UNL1111111111 -0.4406 3 O 0.2086 0.6292 -1.1494 O.3 1 UNL1111111111 -0.4409 4 C -1.8302 -0.0017 -0.0001 C.3 1 UNL1111111111 -0.1224 5 C -3.3742 0.0197 0.0004 C.3 1 UNL1111111111 0.1199 6 C -1.2418 -1.4281 0.0016 C.3 1 UNL1111111111 -0.0273 7 C -1.2096 0.7001 1.2260 C.3 1 UNL1111111111 -0.0332 8 C -1.2104 0.6958 -1.2292 C.3 1 UNL1111111111 -0.0331 9 C 0.6644 -0.0423 -0.0003 C.3 1 UNL1111111111 0.6054 10 C -3.9241 -0.6911 1.2497 C.3 1 UNL1111111111 -0.4678 11 C -3.8940 1.4683 -0.0014 C.3 1 UNL1111111111 -0.4677 12 C -3.9255 -0.6947 -1.2460 C.3 1 UNL1111111111 -0.4678 13 C 2.1605 -0.0302 -0.0009 C.ar 1 UNL1111111111 -0.0659 14 C 2.8829 -1.2218 -0.0004 C.ar 1 UNL1111111111 -0.1039 15 C 2.8115 1.2030 -0.0008 C.ar 1 UNL1111111111 -0.1003 16 C 4.2757 -1.1735 0.0008 C.ar 1 UNL1111111111 -0.1648 17 C 4.2040 1.2447 0.0002 C.ar 1 UNL1111111111 -0.1648 18 C 4.9332 0.0561 0.0012 C.ar 1 UNL1111111111 -0.1218 19 H -1.5026 -2.0013 0.9076 H 1 UNL1111111111 0.1371 20 H -1.5037 -2.0038 -0.9026 H 1 UNL1111111111 0.1371 21 H -1.4454 1.7768 1.2722 H 1 UNL1111111111 0.1364 22 H -1.4714 0.2136 2.1811 H 1 UNL1111111111 0.1376 23 H -1.4707 0.2041 -2.1820 H 1 UNL1111111111 0.1375 24 H -1.4480 1.7719 -1.2807 H 1 UNL1111111111 0.1364 25 H -3.5926 -0.2093 2.1751 H 1 UNL1111111111 0.1485 26 H -5.0204 -0.6752 1.2574 H 1 UNL1111111111 0.1506 27 H -3.6203 -1.7419 1.2910 H 1 UNL1111111111 0.1480 28 H -3.5688 2.0193 -0.8896 H 1 UNL1111111111 0.1481 29 H -3.5599 2.0251 0.8798 H 1 UNL1111111111 0.1481 30 H -4.9902 1.4903 0.0040 H 1 UNL1111111111 0.1504 31 H -3.6235 -1.7462 -1.2836 H 1 UNL1111111111 0.1479 32 H -5.0218 -0.6770 -1.2533 H 1 UNL1111111111 0.1506 33 H -3.5930 -0.2172 -2.1733 H 1 UNL1111111111 0.1484 34 H 2.3634 -2.1813 -0.0004 H 1 UNL1111111111 0.1697 35 H 2.2263 2.1235 -0.0014 H 1 UNL1111111111 0.1655 36 H 4.8484 -2.0982 0.0015 H 1 UNL1111111111 0.1515 37 H 4.7186 2.2026 0.0003 H 1 UNL1111111111 0.1517 38 H 6.0209 0.0885 0.0023 H 1 UNL1111111111 0.1450 @BOND 1 1 6 1 2 1 9 1 3 2 7 1 4 2 9 1 5 3 8 1 6 3 9 1 7 4 5 1 8 4 6 1 9 4 7 1 10 4 8 1 11 5 10 1 12 5 11 1 13 5 12 1 14 6 19 1 15 6 20 1 16 7 21 1 17 7 22 1 18 8 23 1 19 8 24 1 20 9 13 1 21 10 25 1 22 10 26 1 23 10 27 1 24 11 28 1 25 11 29 1 26 11 30 1 27 12 31 1 28 12 32 1 29 12 33 1 30 13 14 ar 31 13 15 ar 32 14 16 ar 33 14 34 1 34 15 17 ar 35 15 35 1 36 16 18 ar 37 16 36 1 38 17 18 ar 39 17 37 1 40 18 38 1