@MOLECULE (2e)-2-(4-methyl-3-penten-1-yl)-2-butenedial 26 25 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.3227 -2.7953 0.4318 O.2 1 UNL1111111111 -0.4103 2 O 3.3136 1.6611 0.4915 O.2 1 UNL1111111111 -0.4226 3 C -0.4140 0.3924 -1.6120 C.3 1 UNL1111111111 -0.2518 4 C 0.6361 -0.7181 -1.4062 C.3 1 UNL1111111111 -0.2853 5 C -1.6754 0.0721 -0.8796 C.2 1 UNL1111111111 -0.2568 6 C -2.2360 0.8464 0.0593 C.2 1 UNL1111111111 0.0640 7 C 0.9583 -0.8491 0.0431 C.2 1 UNL1111111111 -0.0247 8 C -3.5074 0.4420 0.7321 C.3 1 UNL1111111111 -0.4607 9 C -1.6695 2.1539 0.5029 C.3 1 UNL1111111111 -0.4620 10 C 1.9765 -0.2563 0.6737 C.2 1 UNL1111111111 -0.3128 11 C 0.0009 -1.6998 0.8168 C.2 1 UNL1111111111 0.3298 12 C 2.9521 0.6212 -0.0042 C.2 1 UNL1111111111 0.3493 13 H -0.6330 0.4988 -2.6952 H 1 UNL1111111111 0.1500 14 H 0.0100 1.3694 -1.3021 H 1 UNL1111111111 0.1486 15 H 0.2468 -1.6840 -1.8022 H 1 UNL1111111111 0.1750 16 H 1.5364 -0.4999 -2.0130 H 1 UNL1111111111 0.1481 17 H -2.1313 -0.8732 -1.1740 H 1 UNL1111111111 0.1559 18 H -3.8792 -0.5343 0.3930 H 1 UNL1111111111 0.1556 19 H -3.3813 0.3784 1.8221 H 1 UNL1111111111 0.1566 20 H -4.3049 1.1742 0.5379 H 1 UNL1111111111 0.1598 21 H -0.5992 2.0779 0.7458 H 1 UNL1111111111 0.1609 22 H -2.1694 2.5532 1.3949 H 1 UNL1111111111 0.1546 23 H -1.7689 2.9142 -0.2860 H 1 UNL1111111111 0.1607 24 H 2.1401 -0.3592 1.7489 H 1 UNL1111111111 0.1809 25 H -0.3985 -1.2805 1.7491 H 1 UNL1111111111 0.1233 26 H 3.3502 0.2945 -0.9749 H 1 UNL1111111111 0.1138 @BOND 1 1 11 2 2 2 12 2 3 3 4 1 4 3 5 1 5 3 13 1 6 3 14 1 7 4 7 1 8 4 15 1 9 4 16 1 10 5 6 2 11 5 17 1 12 6 8 1 13 6 9 1 14 7 10 2 15 7 11 1 16 8 18 1 17 8 19 1 18 8 20 1 19 9 21 1 20 9 22 1 21 9 23 1 22 10 12 1 23 10 24 1 24 11 25 1 25 12 26 1