@MOLECULE n,n'-{disulfanediylbis[(2z)-5-hydroxy-2-pentene-3,2-diyl]}bis{n-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)methyl]formamide} 70 71 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.5217 -0.9020 0.0869 C.3 1 UNL1 -0.0389 2 C -4.0342 -1.2655 -1.7688 C.3 1 UNL1 -0.0346 3 C 0.1565 2.7741 2.7839 C.3 1 UNL1 -0.3033 4 C -0.3819 1.7113 -1.3505 C.3 1 UNL1 -0.3274 5 C 0.1670 3.9255 1.7595 C.3 1 UNL1 0.0268 6 C -0.2972 3.1746 -1.7976 C.3 1 UNL1 0.0295 7 C 2.7723 1.5600 1.9527 C.3 1 UNL1 -0.4779 8 C -2.1229 0.4379 -3.3708 C.3 1 UNL1 -0.4730 9 C 6.8744 -1.0224 -1.9865 C.3 1 UNL1 -0.4752 10 C -0.7383 -3.5657 2.3200 C.3 1 UNL1 -0.4794 11 H 1.3176 3.8284 0.1447 H 1 UNL1 0.3582 12 H 1.6943 3.0080 -1.7027 H 1 UNL1 0.3609 13 H 5.5067 -2.9282 -0.8032 H 1 UNL1 0.3219 14 H -3.1300 -2.5111 2.5343 H 1 UNL1 0.3240 15 O 2.7997 1.2687 -1.3913 O.2 1 UNL1 -0.5249 16 O -1.4806 -2.5064 -2.2081 O.2 1 UNL1 -0.4793 17 O 2.3033 -2.5815 2.1161 O.2 1 UNL1 -0.5829 18 O -5.6739 0.3301 -0.3197 O.2 1 UNL1 -0.5355 19 O 1.4199 3.9460 1.1226 O.3 1 UNL1 -0.5981 20 O 0.9960 3.6837 -1.5189 O.3 1 UNL1 -0.5858 21 C 1.4652 0.8509 1.8882 C.2 1 UNL1 0.2352 22 C -2.5577 0.6792 -1.9623 C.2 1 UNL1 0.2822 23 C 0.2780 1.4195 2.1782 C.2 1 UNL1 -0.1518 24 C -1.7639 1.2661 -1.0382 C.2 1 UNL1 -0.2392 25 C 2.8939 -0.9330 -0.5045 C.ar 1 UNL1 -0.3054 26 C -3.2289 -1.9410 -0.7082 C.ar 1 UNL1 -0.3320 27 C 3.4197 0.2467 -1.1943 C.ar 1 UNL1 0.6242 28 C -1.9198 -2.4900 -1.0810 C.ar 1 UNL1 0.5996 29 C 5.4620 -0.9354 -1.5095 C.ar 1 UNL1 0.4391 30 C -1.5659 -3.0211 1.2074 C.ar 1 UNL1 0.4602 31 C 2.0159 -1.4428 2.4415 C.2 1 UNL1 0.4849 32 C -4.7712 0.9157 -0.8793 C.2 1 UNL1 0.4904 33 C 3.6545 -2.0561 -0.3873 C.ar 1 UNL1 0.1308 34 C -3.6438 -1.9744 0.5866 C.ar 1 UNL1 0.1258 35 S -1.2266 0.5063 1.9289 S.3 1 UNL1 -0.0248 36 S -2.3399 1.5326 0.6081 S.3 1 UNL1 -0.0169 37 N 4.9457 -2.0929 -0.8923 N.ar 1 UNL1 -0.4983 38 N -2.8448 -2.5443 1.5652 N.ar 1 UNL1 -0.4876 39 N 1.5526 -0.5350 1.5112 N.am 1 UNL1 -0.4917 40 N -3.8724 0.2045 -1.6827 N.am 1 UNL1 -0.5092 41 N 4.7586 0.1480 -1.6574 N.ar 1 UNL1 -0.5485 42 N -1.1378 -3.0117 -0.0199 N.ar 1 UNL1 -0.5609 43 H 0.8636 -0.1967 -0.4692 H 1 UNL1 0.1681 44 H 1.0233 -1.9101 -0.0036 H 1 UNL1 0.2023 45 H -3.7170 -1.6030 -2.7874 H 1 UNL1 0.1722 46 H -5.1213 -1.5106 -1.6783 H 1 UNL1 0.1699 47 H 3.2906 -2.9698 0.1158 H 1 UNL1 0.2074 48 H -4.6084 -1.5517 0.9115 H 1 UNL1 0.1953 49 H 2.0688 -1.0998 3.4839 H 1 UNL1 0.1318 50 H -4.6760 2.0103 -0.8866 H 1 UNL1 0.1466 51 H 0.9967 2.9450 3.4973 H 1 UNL1 0.1606 52 H -0.7581 2.8651 3.4078 H 1 UNL1 0.1566 53 H 0.0856 1.0582 -2.1260 H 1 UNL1 0.1744 54 H 0.3065 1.5892 -0.4759 H 1 UNL1 0.1817 55 H 2.9995 2.0070 0.9591 H 1 UNL1 0.2096 56 H 2.7636 2.4232 2.6366 H 1 UNL1 0.1860 57 H 3.6150 0.9152 2.2181 H 1 UNL1 0.1542 58 H -1.4902 1.2465 -3.7607 H 1 UNL1 0.1702 59 H -1.5344 -0.5022 -3.4355 H 1 UNL1 0.2063 60 H -2.9691 0.3282 -4.0641 H 1 UNL1 0.1687 61 H -0.6485 3.8435 1.0249 H 1 UNL1 0.1230 62 H 0.0873 4.9004 2.2789 H 1 UNL1 0.1191 63 H -0.4784 3.2978 -2.8794 H 1 UNL1 0.1210 64 H -0.9694 3.8437 -1.2318 H 1 UNL1 0.1374 65 H 7.1685 -0.0825 -2.4969 H 1 UNL1 0.2048 66 H 7.5831 -1.1606 -1.1561 H 1 UNL1 0.1759 67 H 7.0249 -1.8337 -2.7128 H 1 UNL1 0.1740 68 H 0.3087 -3.7410 1.9762 H 1 UNL1 0.2270 69 H -0.6665 -2.8801 3.1749 H 1 UNL1 0.1727 70 H -1.1129 -4.5356 2.6748 H 1 UNL1 0.1724 @BOND 1 60 8 1 2 58 8 1 3 59 8 1 4 8 22 1 5 63 6 1 6 45 2 1 7 67 9 1 8 65 9 1 9 16 28 2 10 53 4 1 11 9 29 1 12 9 66 1 13 22 40 1 14 22 24 2 15 6 20 1 16 6 4 1 17 6 64 1 18 2 40 1 19 2 46 1 20 2 26 1 21 12 20 1 22 40 32 am 23 41 29 ar 24 41 27 ar 25 29 37 ar 26 15 27 2 27 4 24 1 28 4 54 1 29 27 25 ar 30 28 26 ar 31 28 42 ar 32 24 36 1 33 37 13 1 34 37 33 ar 35 50 32 1 36 32 18 2 37 26 34 ar 38 25 33 ar 39 25 1 1 40 43 1 1 41 33 47 1 42 42 30 ar 43 44 1 1 44 1 39 1 45 11 19 1 46 34 48 1 47 34 38 ar 48 36 35 1 49 55 7 1 50 61 5 1 51 19 5 1 52 30 38 ar 53 30 10 1 54 39 21 1 55 39 31 am 56 38 14 1 57 5 62 1 58 5 3 1 59 21 7 1 60 21 23 2 61 35 23 1 62 7 57 1 63 7 56 1 64 68 10 1 65 17 31 2 66 23 3 1 67 10 70 1 68 10 69 1 69 31 49 1 70 3 52 1 71 3 51 1