@MOLECULE 2-methoxy-4-[(e)-2-nitrovinyl]phenyl acetate 28 28 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.7404 1.6465 -0.6009 C.ar 1 UNL1 -0.1592 2 C 0.1172 -1.0171 -0.2814 C.ar 1 UNL1 -0.2498 3 C 0.6229 1.3448 -0.5691 C.ar 1 UNL1 -0.1597 4 C -1.9332 -2.9291 0.1776 C.3 1 UNL1 -0.2048 5 C -5.2125 0.9255 0.0963 C.3 1 UNL1 -0.5065 6 C -1.6594 0.6179 -0.4669 C.ar 1 UNL1 0.1582 7 C -1.2403 -0.7238 -0.3169 C.ar 1 UNL1 0.1811 8 C 1.0473 0.0272 -0.3986 C.ar 1 UNL1 -0.0151 9 O -3.3754 0.2786 1.5479 O.2 1 UNL1 -0.4622 10 O 5.1186 -0.9355 -0.2090 O.2 1 UNL1 -0.4181 11 C -3.8074 0.6460 0.4940 C.2 1 UNL1 0.6281 12 O -2.9910 0.9242 -0.5843 O.3 1 UNL1 -0.3981 13 O -2.2597 -1.6150 -0.2619 O.3 1 UNL1 -0.2891 14 C 2.4686 -0.3025 -0.3451 C.2 1 UNL1 -0.0261 15 C 3.3745 0.4941 0.2444 C.2 1 UNL1 -0.2172 16 O 5.5515 0.9218 0.7918 O.2 1 UNL1 -0.3947 17 N 4.7755 0.1331 0.2763 N.pl3 1 UNL1 0.6248 18 H -1.0862 2.6723 -0.7253 H 1 UNL1 0.1762 19 H 0.4624 -2.0408 -0.1600 H 1 UNL1 0.1733 20 H 1.3494 2.1486 -0.6832 H 1 UNL1 0.1667 21 H -1.3186 -3.4440 -0.5667 H 1 UNL1 0.1359 22 H -1.4522 -2.9093 1.1610 H 1 UNL1 0.1434 23 H -2.9254 -3.3968 0.2497 H 1 UNL1 0.1570 24 H -5.3344 1.0306 -0.9945 H 1 UNL1 0.1904 25 H -5.8771 0.1127 0.4334 H 1 UNL1 0.1894 26 H -5.5697 1.8591 0.5616 H 1 UNL1 0.1899 27 H 2.7621 -1.2568 -0.8096 H 1 UNL1 0.1856 28 H 3.1511 1.4427 0.7401 H 1 UNL1 0.2005 @BOND 1 24 5 1 2 27 14 1 3 18 1 1 4 20 3 1 5 1 3 ar 6 1 6 ar 7 12 6 1 8 12 11 1 9 3 8 ar 10 21 4 1 11 6 7 ar 12 8 14 1 13 8 2 ar 14 14 15 2 15 7 2 ar 16 7 13 1 17 2 19 1 18 13 4 1 19 10 17 2 20 5 25 1 21 5 11 1 22 5 26 1 23 4 23 1 24 4 22 1 25 15 17 1 26 15 28 1 27 17 16 2 28 11 9 2