@MOLECULE ether, methyl neopentyl 21 20 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.7638 -0.1877 0.0004 C.3 1 UNL111111111 -0.2062 2 O 1.4373 0.3010 -0.0011 O.3 1 UNL111111111 -0.3755 3 C 0.4680 -0.7407 0.0095 C.3 1 UNL111111111 -0.0784 4 C -0.8977 -0.0152 0.0001 C.3 1 UNL111111111 0.1089 5 C -1.0140 0.8377 -1.2689 C.3 1 UNL111111111 -0.4585 6 C -2.0052 -1.0800 0.0172 C.3 1 UNL111111111 -0.4707 7 C -1.0105 0.8760 1.2429 C.3 1 UNL111111111 -0.4584 8 H 3.3646 0.7308 0.0025 H 1 UNL111111111 0.1442 9 H 2.9677 -0.7761 0.8999 H 1 UNL111111111 0.1192 10 H 2.9691 -0.7726 -0.9012 H 1 UNL111111111 0.1193 11 H 0.5970 -1.3744 -0.8830 H 1 UNL111111111 0.1149 12 H 0.5948 -1.3523 0.9178 H 1 UNL111111111 0.1149 13 H -0.9214 0.2293 -2.1735 H 1 UNL111111111 0.1412 14 H -1.9735 1.3616 -1.3125 H 1 UNL111111111 0.1426 15 H -0.2178 1.5934 -1.3032 H 1 UNL111111111 0.1598 16 H -1.9474 -1.7080 0.9119 H 1 UNL111111111 0.1439 17 H -2.9959 -0.6115 0.0110 H 1 UNL111111111 0.1511 18 H -1.9486 -1.7339 -0.8586 H 1 UNL111111111 0.1439 19 H -0.2132 1.6314 1.2528 H 1 UNL111111111 0.1599 20 H -1.9689 1.4028 1.2721 H 1 UNL111111111 0.1425 21 H -0.9170 0.2955 2.1657 H 1 UNL111111111 0.1412 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 4 6 1 6 4 7 1 7 1 8 1 8 1 9 1 9 1 10 1 10 3 11 1 11 3 12 1 12 5 13 1 13 5 14 1 14 5 15 1 15 6 16 1 16 6 17 1 17 6 18 1 18 7 19 1 19 7 20 1 20 7 21 1