@MOLECULE 1-tert-butoxy-4-methyl-pentane 33 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.1623 1.3838 -0.4744 C.3 1 UNL11111111 -0.5083 2 C -2.7881 -0.0194 0.0164 C.3 1 UNL11111111 0.3389 3 C -2.9954 -0.1536 1.5297 C.3 1 UNL11111111 -0.5080 4 C -3.5820 -1.0964 -0.7418 C.3 1 UNL11111111 -0.4761 5 O -1.4543 -0.3467 -0.3421 O.3 1 UNL11111111 -0.4406 6 C -0.4245 0.4762 0.1814 C.3 1 UNL11111111 -0.0317 7 C 0.8604 -0.1828 -0.3361 C.3 1 UNL11111111 -0.2939 8 C 2.0862 0.5464 0.2185 C.3 1 UNL11111111 -0.2863 9 C 3.3981 -0.0400 -0.3389 C.3 1 UNL11111111 -0.0538 10 C 4.5669 0.8943 0.0037 C.3 1 UNL11111111 -0.4586 11 C 3.6652 -1.4374 0.2321 C.3 1 UNL11111111 -0.4539 12 H -2.6950 2.1684 0.1273 H 1 UNL11111111 0.1474 13 H -2.8412 1.5261 -1.5133 H 1 UNL11111111 0.1597 14 H -4.2449 1.5386 -0.4351 H 1 UNL11111111 0.1521 15 H -4.0600 -0.1763 1.7810 H 1 UNL11111111 0.1517 16 H -2.5438 -1.0834 1.8969 H 1 UNL11111111 0.1603 17 H -2.5443 0.6757 2.0819 H 1 UNL11111111 0.1472 18 H -3.3946 -1.0296 -1.8201 H 1 UNL11111111 0.1580 19 H -3.2719 -2.0999 -0.4259 H 1 UNL11111111 0.1583 20 H -4.6558 -0.9959 -0.5702 H 1 UNL11111111 0.1474 21 H -0.5405 1.5038 -0.2010 H 1 UNL11111111 0.1132 22 H -0.4664 0.4814 1.2831 H 1 UNL11111111 0.1134 23 H 0.8679 -1.2512 -0.0459 H 1 UNL11111111 0.1532 24 H 0.8619 -0.1789 -1.4424 H 1 UNL11111111 0.1499 25 H 2.0265 1.6218 -0.0361 H 1 UNL11111111 0.1359 26 H 2.0937 0.4960 1.3228 H 1 UNL11111111 0.1385 27 H 3.3141 -0.1154 -1.4499 H 1 UNL11111111 0.1302 28 H 4.6796 1.0147 1.0861 H 1 UNL11111111 0.1436 29 H 5.5134 0.5018 -0.3827 H 1 UNL11111111 0.1422 30 H 4.4237 1.8900 -0.4283 H 1 UNL11111111 0.1407 31 H 3.7549 -1.4143 1.3231 H 1 UNL11111111 0.1434 32 H 2.8553 -2.1322 -0.0168 H 1 UNL11111111 0.1456 33 H 4.5936 -1.8588 -0.1674 H 1 UNL11111111 0.1405 @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 7 8 1 8 8 9 1 9 9 10 1 10 9 11 1 11 1 12 1 12 1 13 1 13 1 14 1 14 3 15 1 15 3 16 1 16 3 17 1 17 4 18 1 18 4 19 1 19 4 20 1 20 6 21 1 21 6 22 1 22 7 23 1 23 7 24 1 24 8 25 1 25 8 26 1 26 9 27 1 27 10 28 1 28 10 29 1 29 10 30 1 30 11 31 1 31 11 32 1 32 11 33 1