@MOLECULE [3-{(e)-[(5-nitro-2-furyl)methylene]amino}-2-oxotetrahydro-1(2h)-pyrimidinyl]methyl cyclohexanecarboxylate 49 51 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 5.3426 -0.6999 -1.8458 C.ar 1 UNL1 -0.2946 2 C 6.2757 0.2812 -1.4022 C.ar 1 UNL1 -0.0779 3 C -2.1738 -0.7885 1.9462 C.3 1 UNL1 0.1833 4 C 4.2312 -0.5831 -1.0277 C.ar 1 UNL1 0.1824 5 C 5.6685 0.9270 -0.3462 C.ar 1 UNL1 -0.0648 6 O 0.3936 0.0396 1.5973 O.2 1 UNL1 -0.4286 7 O 5.3563 2.3745 1.3880 O.2 1 UNL1 -0.3614 8 O -4.3126 -1.4484 0.4401 O.2 1 UNL1 -0.5343 9 C 0.5344 -2.7424 -0.7886 C.3 1 UNL1 -0.1055 10 C -1.6986 -2.5958 0.3006 C.3 1 UNL1 -0.0636 11 C -0.5449 -3.5369 -0.0518 C.3 1 UNL1 -0.3153 12 C -5.5561 0.3229 -1.3766 C.3 1 UNL1 -0.2668 13 C -5.2738 1.7666 0.6895 C.3 1 UNL1 -0.2617 14 C -6.2575 1.4869 -2.0855 C.3 1 UNL1 -0.2600 15 C -5.9766 2.9218 -0.0335 C.3 1 UNL1 -0.2587 16 C -6.9734 2.3845 -1.0682 C.3 1 UNL1 -0.2650 17 C -3.9513 -0.2999 0.4072 C.2 1 UNL1 0.6042 18 O -2.8582 0.1241 1.0925 O.3 1 UNL1 -0.4670 19 C -4.5666 0.8580 -0.3318 C.3 1 UNL1 -0.1720 20 C 0.0407 -0.9188 0.9578 C.2 1 UNL1 0.7174 21 C 2.9881 -1.3124 -0.9951 C.2 1 UNL1 -0.2032 22 N 2.0802 -0.9251 -0.1410 N.2 1 UNL1 -0.0190 23 O 7.2081 2.4513 0.2814 O.2 1 UNL1 -0.4142 24 N 6.0959 1.9877 0.5019 N.pl3 1 UNL1 0.6481 25 N 0.8995 -1.5284 -0.0252 N.am 1 UNL1 -0.3512 26 N -1.1877 -1.5512 1.1997 N.am 1 UNL1 -0.5301 27 O 4.4015 0.4140 -0.0922 O.2 1 UNL1 -0.0307 28 H 1.4350 -3.3840 -0.9342 H 1 UNL1 0.1502 29 H 0.1795 -2.4329 -1.7997 H 1 UNL1 0.1504 30 H 2.9204 -2.1414 -1.7056 H 1 UNL1 0.1706 31 H -2.1491 -2.1544 -0.6180 H 1 UNL1 0.1450 32 H -2.5229 -3.1445 0.8177 H 1 UNL1 0.1706 33 H 5.4884 -1.3831 -2.6554 H 1 UNL1 0.1789 34 H -1.6846 -0.0922 2.6741 H 1 UNL1 0.1847 35 H -2.8974 -1.4753 2.4367 H 1 UNL1 0.1499 36 H 7.2519 0.4717 -1.8119 H 1 UNL1 0.1869 37 H -0.9045 -4.3748 -0.6789 H 1 UNL1 0.1620 38 H -0.1320 -4.0003 0.8688 H 1 UNL1 0.1712 39 H -3.7595 1.4445 -0.8427 H 1 UNL1 0.1775 40 H -6.3047 -0.3347 -0.8902 H 1 UNL1 0.1560 41 H -5.0323 -0.3163 -2.1111 H 1 UNL1 0.1401 42 H -4.5383 2.1621 1.4177 H 1 UNL1 0.1515 43 H -6.0111 1.1854 1.2753 H 1 UNL1 0.1444 44 H -5.5238 2.0806 -2.6627 H 1 UNL1 0.1387 45 H -6.9816 1.0960 -2.8239 H 1 UNL1 0.1343 46 H -6.4985 3.5634 0.7005 H 1 UNL1 0.1354 47 H -5.2299 3.5716 -0.5283 H 1 UNL1 0.1414 48 H -7.4740 3.2227 -1.5860 H 1 UNL1 0.1323 49 H -7.7758 1.8162 -0.5615 H 1 UNL1 0.1384 @BOND 1 45 14 1 2 44 14 1 3 33 1 1 4 41 12 1 5 14 12 1 6 14 16 1 7 1 2 ar 8 1 4 ar 9 36 2 1 10 29 9 1 11 30 21 1 12 48 16 1 13 2 5 ar 14 12 40 1 15 12 19 1 16 16 49 1 17 16 15 1 18 4 21 1 19 4 27 ar 20 21 22 2 21 28 9 1 22 39 19 1 23 9 11 1 24 9 25 1 25 37 11 1 26 31 10 1 27 47 15 1 28 5 27 ar 29 5 24 1 30 19 17 1 31 19 13 1 32 22 25 1 33 11 10 1 34 11 38 1 35 15 13 1 36 15 46 1 37 25 20 am 38 23 24 2 39 10 32 1 40 10 26 1 41 17 8 2 42 17 18 1 43 24 7 2 44 13 43 1 45 13 42 1 46 20 26 am 47 20 6 2 48 18 3 1 49 26 3 1 50 3 35 1 51 3 34 1