@MOLECULE 2-tert-butoxy-2-methyl-butane 30 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.5737 -1.0260 -1.2675 C.3 1 UNL11111111 -0.5075 2 C -1.4447 -0.2019 0.0222 C.3 1 UNL11111111 0.3625 3 C -2.0076 1.2084 -0.1588 C.3 1 UNL11111111 -0.5083 4 C -2.1767 -0.9182 1.1792 C.3 1 UNL11111111 -0.4780 5 O -0.1136 -0.2426 0.4957 O.3 1 UNL11111111 -0.4859 6 C 0.9578 0.5349 0.0049 C.3 1 UNL11111111 0.3430 7 C 1.0440 0.6198 -1.5182 C.3 1 UNL11111111 -0.5058 8 C 0.9024 1.9419 0.6274 C.3 1 UNL11111111 -0.5118 9 C 2.1755 -0.2291 0.6004 C.3 1 UNL11111111 -0.2869 10 C 2.3013 -1.6499 0.0565 C.3 1 UNL11111111 -0.4292 11 H -1.3118 -0.4487 -2.1576 H 1 UNL11111111 0.1477 12 H -0.9084 -1.8970 -1.2269 H 1 UNL11111111 0.1594 13 H -2.5960 -1.3920 -1.4013 H 1 UNL11111111 0.1499 14 H -3.0767 1.1740 -0.3960 H 1 UNL11111111 0.1523 15 H -1.8911 1.7960 0.7591 H 1 UNL11111111 0.1575 16 H -1.5098 1.7500 -0.9681 H 1 UNL11111111 0.1493 17 H -1.7804 -1.9308 1.3160 H 1 UNL11111111 0.1567 18 H -2.0199 -0.3853 2.1237 H 1 UNL11111111 0.1559 19 H -3.2494 -0.9853 0.9900 H 1 UNL11111111 0.1466 20 H 0.2433 1.2329 -1.9415 H 1 UNL11111111 0.1475 21 H 1.9970 1.0618 -1.8294 H 1 UNL11111111 0.1526 22 H 0.9788 -0.3761 -1.9718 H 1 UNL11111111 0.1597 23 H 0.5311 1.8848 1.6577 H 1 UNL11111111 0.1602 24 H 1.8921 2.4066 0.6498 H 1 UNL11111111 0.1486 25 H 0.2400 2.6125 0.0751 H 1 UNL11111111 0.1483 26 H 3.0977 0.3427 0.4004 H 1 UNL11111111 0.1359 27 H 2.0549 -0.2665 1.7016 H 1 UNL11111111 0.1489 28 H 1.3469 -2.1862 0.1507 H 1 UNL11111111 0.1575 29 H 2.5834 -1.6591 -1.0009 H 1 UNL11111111 0.1365 30 H 3.0569 -2.2189 0.6087 H 1 UNL11111111 0.1371 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 1 7 6 8 1 8 6 9 1 9 9 10 1 10 1 11 1 11 1 12 1 12 1 13 1 13 3 14 1 14 3 15 1 15 3 16 1 16 4 17 1 17 4 18 1 18 4 19 1 19 7 20 1 20 7 21 1 21 7 22 1 22 8 23 1 23 8 24 1 24 8 25 1 25 9 26 1 26 9 27 1 27 10 28 1 28 10 29 1 29 10 30 1