@MOLECULE 1-iodo-2,2-dimethyl-butane 20 19 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.2848 0.1205 -0.0055 C.3 1 UNL111111 -0.4290 2 C 2.9542 0.8708 -0.0002 C.3 1 UNL111111 -0.2793 3 C 1.7024 -0.0546 0.0021 C.3 1 UNL111111 0.1085 4 C 1.6963 -0.9305 -1.2551 C.3 1 UNL111111 -0.4661 5 C 1.7033 -0.9351 1.2561 C.3 1 UNL111111 -0.4660 6 C 0.5027 0.9180 0.0082 C.3 1 UNL111111 -0.3054 7 I -1.4621 0.0093 -0.0006 I 1 UNL111111 -0.0882 8 H 5.1277 0.8220 0.0059 H 1 UNL111111 0.1419 9 H 4.3906 -0.5280 0.8713 H 1 UNL111111 0.1450 10 H 4.3959 -0.5055 -0.8982 H 1 UNL111111 0.1449 11 H 2.9167 1.5341 0.8859 H 1 UNL111111 0.1372 12 H 2.9124 1.5365 -0.8840 H 1 UNL111111 0.1372 13 H 2.6125 -1.5291 -1.3248 H 1 UNL111111 0.1526 14 H 0.8651 -1.6439 -1.2620 H 1 UNL111111 0.1542 15 H 1.6264 -0.3299 -2.1678 H 1 UNL111111 0.1472 16 H 1.6535 -0.3381 2.1726 H 1 UNL111111 0.1471 17 H 0.8628 -1.6374 1.2715 H 1 UNL111111 0.1542 18 H 2.6131 -1.5452 1.3100 H 1 UNL111111 0.1526 19 H 0.5255 1.5540 0.9071 H 1 UNL111111 0.1557 20 H 0.5278 1.5673 -0.8814 H 1 UNL111111 0.1557 @BOND 1 15 4 1 2 13 4 1 3 14 4 1 4 4 3 1 5 10 1 1 6 12 2 1 7 20 6 1 8 1 2 1 9 1 8 1 10 1 9 1 11 7 6 1 12 2 3 1 13 2 11 1 14 3 6 1 15 3 5 1 16 6 19 1 17 5 17 1 18 5 18 1 19 5 16 1