@MOLECULE 5-(~125~i)iodo-6-nitro-2-(1-piperazinyl)quinoline 33 35 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 I -2.7966 1.3408 -0.1229 I 1 UNL1 0.0715 2 C 0.5811 1.2068 0.0710 C.ar 1 UNL1 -0.0268 3 C 0.2685 -2.5342 0.0973 C.ar 1 UNL1 -0.1598 4 C -1.0836 -2.7137 0.1146 C.ar 1 UNL1 -0.0899 5 C 1.9423 1.3122 0.0939 C.ar 1 UNL1 -0.2896 6 H 7.2241 -0.4272 0.8992 H 1 UNL1 0.2522 7 C -1.4563 -0.2961 0.0424 C.ar 1 UNL1 -0.0008 8 C -1.9426 -1.5808 0.0997 C.ar 1 UNL1 -0.1014 9 C 2.7312 0.1100 0.0651 C.ar 1 UNL1 0.3920 10 O -3.9592 -1.7342 1.2055 O.2 1 UNL1 -0.3702 11 C 4.8116 -1.1091 -0.3424 C.3 1 UNL1 -0.1310 12 C 4.8442 1.0655 0.8309 C.3 1 UNL1 -0.1367 13 C 6.2308 -0.8076 -0.8798 C.3 1 UNL1 -0.1234 14 C 6.2749 1.3069 0.2798 C.3 1 UNL1 -0.1159 15 O -3.8822 -2.3476 -0.8646 O.2 1 UNL1 -0.3738 16 N 4.1148 0.1737 -0.0956 N.pl3 1 UNL1 -0.3949 17 N -3.3738 -1.8963 0.1472 N.pl3 1 UNL1 0.6102 18 N 7.0107 0.0566 0.0276 N.3 1 UNL1 -0.5129 19 C -0.0561 -0.0703 0.0554 C.ar 1 UNL1 -0.1710 20 C 0.8027 -1.2079 0.0676 C.ar 1 UNL1 0.2500 21 N 2.1628 -1.1057 0.0665 N.ar 1 UNL1 -0.5085 22 H -0.0163 2.1215 0.0702 H 1 UNL1 0.1705 23 H 0.9707 -3.3700 0.1063 H 1 UNL1 0.1910 24 H -1.5212 -3.7159 0.1312 H 1 UNL1 0.1819 25 H 2.4397 2.2786 0.0900 H 1 UNL1 0.1796 26 H 4.2358 -1.6929 -1.0993 H 1 UNL1 0.1735 27 H 4.8505 -1.7388 0.5723 H 1 UNL1 0.1403 28 H 4.8945 0.6248 1.8489 H 1 UNL1 0.1351 29 H 4.3135 2.0361 0.9207 H 1 UNL1 0.1499 30 H 6.7864 -1.7553 -1.0397 H 1 UNL1 0.1451 31 H 6.1638 -0.3007 -1.8696 H 1 UNL1 0.1599 32 H 6.2193 1.8760 -0.6766 H 1 UNL1 0.1604 33 H 6.8551 1.9301 0.9919 H 1 UNL1 0.1436 @BOND 1 31 13 1 2 26 11 1 3 30 13 1 4 13 11 1 5 13 18 1 6 15 17 2 7 32 14 1 8 11 16 1 9 11 27 1 10 1 7 1 11 16 9 1 12 16 12 1 13 18 14 1 14 18 6 1 15 7 19 ar 16 7 8 ar 17 19 20 ar 18 19 2 ar 19 9 21 ar 20 9 5 ar 21 21 20 ar 22 20 3 ar 23 22 2 1 24 2 5 ar 25 25 5 1 26 3 23 1 27 3 4 ar 28 8 4 ar 29 8 17 1 30 4 24 1 31 17 10 2 32 14 12 1 33 14 33 1 34 12 29 1 35 12 28 1