@MOLECULE 3-tert-butyl-5-methoxy-1,2-quinone 28 28 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.5745 1.6283 -0.0023 O.2 1 UNL1111111111 -0.2975 2 O 1.3926 -1.9962 -0.0527 O.2 1 UNL1111111111 -0.3358 3 O -1.1469 -2.9017 0.0434 O.2 1 UNL1111111111 -0.3651 4 C 2.1545 0.7641 0.0083 C.3 1 UNL1111111111 0.1288 5 C 0.7205 0.2825 -0.0039 C.2 1 UNL1111111111 -0.0586 6 C 2.8565 0.2648 -1.2657 C.3 1 UNL1111111111 -0.4622 7 C 2.8538 0.2119 1.2620 C.3 1 UNL1111111111 -0.4625 8 C 2.2487 2.3002 0.0413 C.3 1 UNL1111111111 -0.4668 9 C -0.3385 1.1084 -0.0052 C.2 1 UNL1111111111 -0.2151 10 C 0.4964 -1.1957 -0.0179 C.2 1 UNL1111111111 0.3189 11 C -1.7073 0.5954 -0.0081 C.2 1 UNL1111111111 0.3180 12 C -0.9552 -1.7129 0.0086 C.2 1 UNL1111111111 0.3869 13 C -2.0135 -0.7195 -0.0069 C.2 1 UNL1111111111 -0.4879 14 C -3.9643 1.3128 -0.0052 C.3 1 UNL1111111111 -0.2000 15 H 2.3204 0.5736 -2.1686 H 1 UNL1111111111 0.1467 16 H 3.8760 0.6593 -1.3332 H 1 UNL1111111111 0.1486 17 H 2.9389 -0.8304 -1.2840 H 1 UNL1111111111 0.1703 18 H 2.9396 -0.8829 1.2335 H 1 UNL1111111111 0.1699 19 H 2.3141 0.4807 2.1756 H 1 UNL1111111111 0.1469 20 H 3.8720 0.6056 1.3497 H 1 UNL1111111111 0.1487 21 H 1.7746 2.7178 0.9360 H 1 UNL1111111111 0.1473 22 H 1.7864 2.7558 -0.8408 H 1 UNL1111111111 0.1471 23 H 3.2960 2.6246 0.0549 H 1 UNL1111111111 0.1516 24 H -0.2461 2.1979 -0.0004 H 1 UNL1111111111 0.1868 25 H -3.0264 -1.1076 -0.0078 H 1 UNL1111111111 0.1948 26 H -4.4279 2.3083 -0.0046 H 1 UNL1111111111 0.1535 27 H -4.2386 0.7580 0.8983 H 1 UNL1111111111 0.1433 28 H -4.2342 0.7614 -0.9120 H 1 UNL1111111111 0.1432 @BOND 1 1 11 1 2 1 14 1 3 2 10 2 4 3 12 2 5 4 5 1 6 4 6 1 7 4 7 1 8 4 8 1 9 5 9 2 10 5 10 1 11 6 15 1 12 6 16 1 13 6 17 1 14 7 18 1 15 7 19 1 16 7 20 1 17 8 21 1 18 8 22 1 19 8 23 1 20 9 11 1 21 9 24 1 22 10 12 1 23 11 13 2 24 12 13 1 25 13 25 1 26 14 26 1 27 14 27 1 28 14 28 1