@MOLECULE 1,1-dimethylbutyl(oxomethyl)azanide 22 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 3.6637 -0.8496 0.0007 C.3 1 UNL1 -0.4384 2 C 2.5025 0.1459 -0.0056 C.3 1 UNL1 -0.2474 3 C 1.1652 -0.5990 0.0036 C.3 1 UNL1 -0.2990 4 C -0.0627 0.3480 0.0011 C.3 1 UNL1 0.3571 5 C -0.1029 1.2270 1.2647 C.3 1 UNL1 -0.4979 6 C -0.0994 1.2308 -1.2599 C.3 1 UNL1 -0.4975 7 N -1.2132 -0.5497 -0.0024 N.2 1 UNL1 -0.5691 8 C -2.4299 -0.4339 -0.0014 C.1 1 UNL1 0.5671 9 O -3.5918 -0.6041 -0.0016 O.2 1 UNL1 -0.3478 10 H 3.6513 -1.4743 0.9013 H 1 UNL1 0.1452 11 H 3.6230 -1.5198 -0.8656 H 1 UNL1 0.1455 12 H 4.6293 -0.3328 -0.0281 H 1 UNL1 0.1410 13 H 2.5800 0.8138 0.8730 H 1 UNL1 0.1346 14 H 2.5762 0.7994 -0.8953 H 1 UNL1 0.1348 15 H 1.1021 -1.2774 -0.8709 H 1 UNL1 0.1583 16 H 1.1077 -1.2638 0.8889 H 1 UNL1 0.1579 17 H 0.7557 1.9061 1.3000 H 1 UNL1 0.1589 18 H -1.0080 1.8419 1.3056 H 1 UNL1 0.1547 19 H -0.0766 0.6156 2.1752 H 1 UNL1 0.1641 20 H -0.0643 0.6220 -2.1718 H 1 UNL1 0.1642 21 H -1.0077 1.8410 -1.3044 H 1 UNL1 0.1547 22 H 0.7556 1.9147 -1.2878 H 1 UNL1 0.1589 @BOND 1 20 6 1 2 21 6 1 3 22 6 1 4 6 4 1 5 14 2 1 6 15 3 1 7 11 1 1 8 12 1 1 9 2 1 1 10 2 3 1 11 2 13 1 12 7 8 2 13 7 4 1 14 9 8 2 15 1 10 1 16 4 3 1 17 4 5 1 18 3 16 1 19 5 17 1 20 5 18 1 21 5 19 1