@MOLECULE 1-tert-butoxy-2,2-dimethyl-butane 33 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.5389 0.8821 -1.2669 C.3 1 UNL11111111 -0.5069 2 C -2.2234 0.0782 -0.0000 C.3 1 UNL11111111 0.3350 3 C -2.5445 0.8796 1.2668 C.3 1 UNL11111111 -0.5069 4 C -2.9721 -1.2653 -0.0034 C.3 1 UNL11111111 -0.4760 5 O -0.8712 -0.3535 0.0034 O.3 1 UNL11111111 -0.4315 6 C 0.1235 0.6555 0.0014 C.3 1 UNL11111111 -0.0682 7 C 1.4696 -0.1175 0.0001 C.3 1 UNL11111111 0.0910 8 C 1.5376 -0.9934 1.2561 C.3 1 UNL11111111 -0.4553 9 C 1.5349 -0.9919 -1.2570 C.3 1 UNL11111111 -0.4553 10 C 2.5936 0.9451 0.0006 C.3 1 UNL11111111 -0.2799 11 C 3.9986 0.3437 -0.0010 C.3 1 UNL11111111 -0.4287 12 H -2.1073 1.8866 -1.2339 H 1 UNL11111111 0.1475 13 H -2.1350 0.3768 -2.1526 H 1 UNL11111111 0.1596 14 H -3.6185 0.9918 -1.4063 H 1 UNL11111111 0.1514 15 H -3.6246 0.9871 1.4034 H 1 UNL11111111 0.1513 16 H -2.1425 0.3734 2.1530 H 1 UNL11111111 0.1597 17 H -2.1141 1.8846 1.2364 H 1 UNL11111111 0.1475 18 H -2.6965 -1.8596 -0.8824 H 1 UNL11111111 0.1573 19 H -2.7074 -1.8587 0.8798 H 1 UNL11111111 0.1573 20 H -4.0543 -1.1187 -0.0102 H 1 UNL11111111 0.1478 21 H 0.0197 1.2796 -0.9007 H 1 UNL11111111 0.1144 22 H 0.0211 1.2814 0.9023 H 1 UNL11111111 0.1144 23 H 0.6606 -1.6531 1.3131 H 1 UNL11111111 0.1603 24 H 2.4274 -1.6298 1.2569 H 1 UNL11111111 0.1425 25 H 1.5522 -0.3897 2.1681 H 1 UNL11111111 0.1393 26 H 1.5476 -0.3880 -2.1689 H 1 UNL11111111 0.1392 27 H 2.4241 -1.6291 -1.2601 H 1 UNL11111111 0.1425 28 H 0.6577 -1.6516 -1.3120 H 1 UNL11111111 0.1603 29 H 2.4770 1.6013 -0.8829 H 1 UNL11111111 0.1334 30 H 2.4775 1.6000 0.8855 H 1 UNL11111111 0.1334 31 H 4.1679 -0.2841 0.8808 H 1 UNL11111111 0.1438 32 H 4.1698 -0.2780 -0.8870 H 1 UNL11111111 0.1438 33 H 4.7619 1.1295 0.0024 H 1 UNL11111111 0.1358 @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 7 9 1 9 7 10 1 10 10 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 8 23 1 23 8 24 1 24 8 25 1 25 9 26 1 26 9 27 1 27 9 28 1 28 10 29 1 29 10 30 1 30 11 31 1 31 11 32 1 32 11 33 1