@MOLECULE dimethyl itaconate 21 20 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.6372 0.3290 0.5710 O.3 1 UNL1111111111 -0.4223 2 O 1.4517 1.1330 0.3520 O.3 1 UNL1111111111 -0.4114 3 O -1.4464 -0.2265 -1.2541 O.2 1 UNL1111111111 -0.4841 4 O 2.8251 -0.3898 -0.5645 O.2 1 UNL1111111111 -0.4916 5 C -0.5204 -0.5423 0.9861 C.3 1 UNL1111111111 -0.3482 6 C 0.7103 -1.0871 0.3440 C.2 1 UNL1111111111 -0.0874 7 C -1.5285 -0.1487 -0.0589 C.2 1 UNL1111111111 0.6086 8 C 1.7799 -0.1317 -0.0226 C.2 1 UNL1111111111 0.5932 9 C 0.8845 -2.3829 0.0692 C.2 1 UNL1111111111 -0.2035 10 C -3.6929 0.7702 -0.2765 C.3 1 UNL1111111111 -0.1652 11 C 2.3946 2.1453 0.0128 C.3 1 UNL1111111111 -0.1655 12 H -0.9774 -1.2788 1.6865 H 1 UNL1111111111 0.1880 13 H -0.2930 0.3439 1.6307 H 1 UNL1111111111 0.2041 14 H 0.1535 -3.1482 0.2914 H 1 UNL1111111111 0.1556 15 H 1.7795 -2.7684 -0.4120 H 1 UNL1111111111 0.1732 16 H -4.4549 1.1078 0.4352 H 1 UNL1111111111 0.1453 17 H -4.0578 -0.0596 -0.8911 H 1 UNL1111111111 0.1396 18 H -3.3471 1.5926 -0.9122 H 1 UNL1111111111 0.1414 19 H 2.5575 2.1647 -1.0707 H 1 UNL1111111111 0.1449 20 H 3.3390 1.9704 0.5384 H 1 UNL1111111111 0.1394 21 H 1.9037 3.0620 0.3591 H 1 UNL1111111111 0.1458 @BOND 1 1 7 1 2 1 10 1 3 2 8 1 4 2 11 1 5 3 7 2 6 4 8 2 7 5 6 1 8 5 7 1 9 5 12 1 10 5 13 1 11 6 8 1 12 6 9 2 13 9 14 1 14 9 15 1 15 10 16 1 16 10 17 1 17 10 18 1 18 11 19 1 19 11 20 1 20 11 21 1