@MOLECULE 1-phenylethyl 2,6-dimethyl-5-nitro-4-(thieno[3,2-c]pyridin-3-yl)-1,4-dihydro-3-pyridinecarboxylate 31 35 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 2.4833 2.8364 1.8282 S.2 1 UNL1 0.3432 2 O -2.1593 -0.8517 -0.1638 O.2 1 UNL1 -0.1831 3 O -0.9442 1.0148 0.0949 O.2 1 UNL1 -0.2172 4 O 4.3649 -0.1140 0.0046 O.2 1 UNL1 -0.0744 5 O 4.2064 -4.6469 0.1237 O.2 1 UNL1 -0.1478 6 N 1.0992 -3.4951 -0.3674 N.ar 1 UNL1 -0.3050 7 N 3.9776 -1.2218 0.2122 N.2 1 UNL1 -0.0164 8 N 0.7779 3.0975 -2.4245 N.ar 1 UNL1 -0.2595 9 C 1.5519 -0.6709 0.0485 C.ar 1 UNL1 0.0430 10 C 0.2245 -1.1556 -0.1759 C.ar 1 UNL1 -0.0301 11 C 1.7752 0.7189 0.3881 C.ar 1 UNL1 -0.1016 12 C 2.6183 -1.5610 0.0150 C.ar 1 UNL1 0.0111 13 C 0.0545 -2.5827 -0.4514 C.ar 1 UNL1 -0.3559 14 CA 2.3449 -2.9849 -0.1261 C.ar 1 UNL1 -0.1165 15 C 1.5038 1.8646 -0.4518 C.ar 1 UNL1 -0.0686 16 C 2.2747 1.1873 1.5486 C.ar 1 UNL1 -0.0444 17 C -0.8789 -0.3497 -0.0964 C.2 1 UNL1 0.1670 18 C 1.8552 3.1223 0.2122 C.ar 1 UNL1 -0.1154 19 C -1.1363 -3.1293 -0.8042 C.2 1 UNL1 0.5470 20 C 3.3529 -3.8891 -0.0096 C.1 1 UNL1 0.4983 21 C 0.9926 2.0210 -1.7265 C.ar 1 UNL1 0.1605 22 C -3.0061 0.2174 0.0305 C.2 1 UNL1 -0.0814 23 C 1.6274 4.2417 -0.5310 C.ar 1 UNL1 -0.0767 24 C -4.3929 -0.0805 0.1372 C.3 1 UNL1 -0.0201 25 C -2.2011 1.4246 0.1715 C.2 1 UNL1 0.2698 26 C 1.1240 4.2029 -1.7571 C.ar 1 UNL1 0.1493 27 C -5.3562 0.8170 0.6050 C.2 1 UNL1 0.0388 28 C -5.0003 -1.3022 -0.1625 C.2 1 UNL1 0.0330 29 C -6.6407 0.5452 0.7514 C.2 1 UNL1 -0.0492 30 C -6.2873 -1.5639 -0.0136 C.2 1 UNL1 -0.0529 31 C -7.1394 -0.6511 0.4472 C.3 1 UNL1 0.0553 @BOND 1 8 26 ar 2 8 21 ar 3 26 23 ar 4 21 15 ar 5 19 13 2 6 23 18 ar 7 15 18 ar 8 15 11 ar 9 13 6 ar 10 13 10 ar 11 6 14 ar 12 10 17 2 13 10 9 ar 14 2 17 1 15 2 22 1 16 28 30 2 17 28 24 1 18 14 20 2 19 14 12 ar 20 17 3 1 21 30 31 1 22 20 5 2 23 4 7 2 24 12 9 ar 25 12 7 1 26 22 24 1 27 22 25 2 28 9 11 1 29 3 25 1 30 24 27 1 31 18 1 ar 32 11 16 ar 33 31 29 1 34 27 29 2 35 16 1 ar