@MOLECULE 2-[2-(3-nitro-phenyl)-vinyl]-quinoline 33 35 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -6.3584 1.1160 -0.2759 O.2 1 UNL1 -0.3980 2 O -4.6695 2.4436 -0.3910 O.2 1 UNL1 -0.3955 3 N 2.1580 0.2727 0.0748 N.ar 1 UNL1 -0.3947 4 N -5.1585 1.3361 -0.2371 N.pl3 1 UNL1 0.6199 5 C 4.4774 -0.4375 -0.1814 C.ar 1 UNL1 -0.0951 6 C 3.5007 0.5564 0.0821 C.ar 1 UNL1 0.1622 7 C 1.7601 -0.9660 -0.1901 C.ar 1 UNL1 0.2036 8 C 4.0258 -1.7573 -0.4552 C.ar 1 UNL1 -0.0845 9 C -2.0233 -0.6340 0.2733 C.ar 1 UNL1 -0.0259 10 C 2.6837 -2.0269 -0.4636 C.ar 1 UNL1 -0.2454 11 C 5.8496 -0.0770 -0.1656 C.ar 1 UNL1 -0.1330 12 C 0.3193 -1.2432 -0.2083 C.2 1 UNL1 -0.1797 13 C 3.9069 1.8958 0.3599 C.ar 1 UNL1 -0.1518 14 C -0.5841 -0.3900 0.2979 C.2 1 UNL1 -0.0992 15 C -2.8850 0.4431 0.0437 C.ar 1 UNL1 -0.0918 16 C -2.5542 -1.9125 0.4800 C.ar 1 UNL1 -0.1022 17 C 6.2193 1.2164 0.1003 C.ar 1 UNL1 -0.1529 18 C 5.2401 2.2088 0.3665 C.ar 1 UNL1 -0.1280 19 C -4.2608 0.2157 0.0079 C.ar 1 UNL1 -0.0779 20 C -3.9319 -2.1218 0.4454 C.ar 1 UNL1 -0.1661 21 C -4.7981 -1.0599 0.2041 C.ar 1 UNL1 -0.0918 22 H 4.7618 -2.5362 -0.6570 H 1 UNL1 0.1613 23 H 2.3034 -3.0229 -0.6709 H 1 UNL1 0.1691 24 H 6.5961 -0.8435 -0.3692 H 1 UNL1 0.1567 25 H 0.0316 -2.1857 -0.6748 H 1 UNL1 0.1583 26 H 3.1337 2.6389 0.5585 H 1 UNL1 0.1769 27 H -0.2678 0.5638 0.7452 H 1 UNL1 0.1894 28 H -2.4852 1.4518 -0.1122 H 1 UNL1 0.1934 29 H -1.8840 -2.7503 0.6776 H 1 UNL1 0.1606 30 H 7.2700 1.5035 0.1109 H 1 UNL1 0.1569 31 H 5.5703 3.2265 0.5753 H 1 UNL1 0.1576 32 H -4.3338 -3.1220 0.6072 H 1 UNL1 0.1623 33 H -5.8807 -1.2154 0.1696 H 1 UNL1 0.1851 @BOND 1 25 12 1 2 23 10 1 3 22 8 1 4 10 8 ar 5 10 7 ar 6 8 5 ar 7 2 4 2 8 24 11 1 9 1 4 2 10 4 19 1 11 12 7 1 12 12 14 2 13 7 3 ar 14 5 11 ar 15 5 6 ar 16 11 17 ar 17 28 15 1 18 19 15 ar 19 19 21 ar 20 15 9 ar 21 3 6 ar 22 6 13 ar 23 17 30 1 24 17 18 ar 25 33 21 1 26 21 20 ar 27 9 14 1 28 9 16 ar 29 14 27 1 30 13 18 ar 31 13 26 1 32 18 31 1 33 20 16 ar 34 20 32 1 35 16 29 1