@MOLECULE 6-[propyl(4-vinylbenzyl)amino]-1,3,5-triazine-2,4(1h,3h)-dithione 39 40 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 4.2377 -0.0710 2.1564 S.2 1 UNL1 -0.3864 2 S 2.2544 3.0492 -1.6647 S.2 1 UNL1 -0.3191 3 N 0.1858 -1.3513 -0.5450 N.pl3 1 UNL1 -0.3876 4 N 2.0794 -0.6538 0.7415 N.ar 1 UNL1 -0.5577 5 N 1.1747 0.7276 -0.9865 N.ar 1 UNL1 -0.5932 6 N 3.1314 1.3897 0.1981 N.ar 1 UNL1 -0.5201 7 C -0.0699 -2.4808 0.3634 C.3 1 UNL1 -0.0880 8 C -0.8657 -1.0502 -1.5428 C.3 1 UNL1 -0.0687 9 C 0.8698 -3.6622 0.0607 C.3 1 UNL1 -0.2703 10 C -2.0769 -0.4529 -0.8818 C.ar 1 UNL1 -0.0703 11 C 1.1226 -0.4028 -0.2662 C.ar 1 UNL1 0.5740 12 C 0.4754 -4.3806 -1.2267 C.3 1 UNL1 -0.4318 13 C -3.1803 -1.2521 -0.5801 C.ar 1 UNL1 -0.1541 14 C -2.0883 0.9054 -0.5625 C.ar 1 UNL1 -0.1212 15 C -4.2841 -0.6983 0.0609 C.ar 1 UNL1 -0.1704 16 C -3.1877 1.4576 0.0869 C.ar 1 UNL1 -0.1552 17 C -4.2872 0.6567 0.4090 C.ar 1 UNL1 0.0089 18 C 3.1183 0.2557 0.9802 C.ar 1 UNL1 0.4551 19 C 2.1550 1.6550 -0.8055 C.ar 1 UNL1 0.4603 20 C -5.4491 1.2207 1.0996 C.2 1 UNL1 -0.1513 21 C -5.3462 2.0018 2.1764 C.2 1 UNL1 -0.2860 22 H -1.1333 -2.8047 0.2481 H 1 UNL1 0.1680 23 H 0.0145 -2.1621 1.4274 H 1 UNL1 0.1432 24 H -1.1037 -1.9984 -2.0791 H 1 UNL1 0.1544 25 H -0.4545 -0.3494 -2.3205 H 1 UNL1 0.2010 26 H 0.8416 -4.3728 0.9114 H 1 UNL1 0.1499 27 H 1.9213 -3.3219 -0.0156 H 1 UNL1 0.1491 28 H -0.5474 -4.7699 -1.1837 H 1 UNL1 0.1427 29 H 0.5457 -3.7139 -2.0957 H 1 UNL1 0.1540 30 H 1.1388 -5.2326 -1.4230 H 1 UNL1 0.1496 31 H -3.1881 -2.3057 -0.8501 H 1 UNL1 0.1452 32 H -1.2308 1.5353 -0.8241 H 1 UNL1 0.1881 33 H 2.0573 -1.5141 1.2951 H 1 UNL1 0.3512 34 H -5.1447 -1.3204 0.2977 H 1 UNL1 0.1535 35 H -3.1952 2.5176 0.3397 H 1 UNL1 0.1641 36 H 3.8825 2.0826 0.3518 H 1 UNL1 0.3659 37 H -6.4177 0.9482 0.6751 H 1 UNL1 0.1542 38 H -6.1984 2.4154 2.6943 H 1 UNL1 0.1480 39 H -4.4044 2.2810 2.6264 H 1 UNL1 0.1510 @BOND 1 25 8 1 2 29 12 1 3 24 8 1 4 2 19 2 5 8 10 1 6 8 3 1 7 30 12 1 8 12 28 1 9 12 9 1 10 5 19 ar 11 5 11 ar 12 10 13 ar 13 10 14 ar 14 31 13 1 15 32 14 1 16 19 6 ar 17 13 15 ar 18 14 16 ar 19 3 11 1 20 3 7 1 21 11 4 ar 22 27 9 1 23 9 7 1 24 9 26 1 25 15 34 1 26 15 17 ar 27 16 35 1 28 16 17 ar 29 6 36 1 30 6 18 ar 31 22 7 1 32 7 23 1 33 17 20 1 34 37 20 1 35 4 18 ar 36 4 33 1 37 18 1 2 38 20 21 2 39 21 39 1 40 21 38 1