@MOLECULE (6s)-5-(diphenylacetyl)-1-(4-methoxy-3-methylbenzyl)-4,5,6,7-tetrahydro-1h-imidazo[4,5-c]pyridine-6-carboxylic acid 66 70 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.2982 -0.7189 -0.8930 C.3 1 UNL1 0.0279 2 C -1.7994 1.5076 2.8346 C.ar 1 UNL1 0.0501 3 C -4.8765 0.5562 1.3365 C.ar 1 UNL1 -0.1247 4 C -4.6824 1.4434 -0.9080 C.ar 1 UNL1 -0.0981 5 C -5.6629 0.5544 -1.3509 C.ar 1 UNL1 -0.2793 6 C 4.5041 -1.3071 1.9387 C.ar 1 UNL1 -0.1646 7 C 3.7967 -2.1362 -0.2200 C.ar 1 UNL1 -0.1475 8 C 4.6485 2.2352 0.6137 C.ar 1 UNL1 -0.1632 9 C 4.7189 0.9076 -1.4056 C.ar 1 UNL1 -0.1228 10 C 5.1507 -2.5151 2.1879 C.ar 1 UNL1 -0.1407 11 C 4.4455 -3.3421 0.0334 C.ar 1 UNL1 -0.1378 12 C 5.6222 3.0817 0.0879 C.ar 1 UNL1 -0.1465 13 C 5.6905 1.7575 -1.9283 C.ar 1 UNL1 -0.1433 14 C 5.1238 -3.5329 1.2360 C.ar 1 UNL1 -0.1573 15 C 6.1449 2.8434 -1.1815 C.ar 1 UNL1 -0.1506 16 C -3.2154 2.3880 0.8979 C.3 1 UNL1 -0.0795 17 C -6.4782 -1.3089 1.8564 C.3 1 UNL1 -0.4327 18 C -7.6286 -1.3366 -2.0711 C.3 1 UNL1 -0.2069 19 C -4.2912 1.4455 0.4257 C.ar 1 UNL1 -0.1111 20 C -5.8458 -0.3428 0.9207 C.ar 1 UNL1 -0.0458 21 C 3.8281 -1.1154 0.7318 C.ar 1 UNL1 0.0068 22 C 4.1980 1.1446 -0.1323 C.ar 1 UNL1 0.0095 23 C -6.2322 -0.3287 -0.4390 C.ar 1 UNL1 0.2195 24 O -0.4146 -0.1451 -3.2607 O.2 1 UNL1 -0.5091 25 O 1.9444 0.5219 -1.5835 O.2 1 UNL1 -0.5057 26 C -1.1826 0.5407 -0.6699 C.3 1 UNL1 -0.3018 27 C 0.5641 -0.8542 1.4040 C.3 1 UNL1 -0.0458 28 O 0.9732 -1.7714 -2.6011 O.3 1 UNL1 -0.5346 29 C 0.0789 -0.7807 -2.3680 C.2 1 UNL1 0.6487 30 C 1.9736 0.0686 -0.4580 C.2 1 UNL1 0.5787 31 O -7.1896 -1.2507 -0.7222 O.3 1 UNL1 -0.3077 32 H 1.2965 -1.7798 -3.5371 H 1 UNL1 0.3509 33 C -1.2739 0.7743 0.7812 C.ar 1 UNL1 0.0144 34 C -0.4658 0.1596 1.7505 C.ar 1 UNL1 -0.0352 35 C 3.1730 0.2157 0.4669 C.3 1 UNL1 -0.2151 36 N -0.7978 0.6249 3.0061 N.ar 1 UNL1 -0.3657 37 N 0.8986 -0.7233 -0.0300 N.am 1 UNL1 -0.4788 38 N -2.1028 1.6428 1.4736 N.ar 1 UNL1 -0.2555 39 H -0.7310 1.4183 -1.1919 H 1 UNL1 0.1931 40 H -2.1768 0.3980 -1.1443 H 1 UNL1 0.1787 41 H 1.4733 -0.7696 2.0415 H 1 UNL1 0.1728 42 H 0.1760 -1.8900 1.5804 H 1 UNL1 0.1687 43 H -2.8309 3.0206 0.0582 H 1 UNL1 0.1667 44 H -3.6250 3.0962 1.6586 H 1 UNL1 0.1613 45 H -2.2914 2.0585 3.6136 H 1 UNL1 0.1842 46 H -0.8913 -1.6456 -0.6447 H 1 UNL1 0.1792 47 H -4.5554 0.5620 2.3789 H 1 UNL1 0.1616 48 H -4.2279 2.1319 -1.6214 H 1 UNL1 0.1590 49 H 2.8019 0.6578 1.4354 H 1 UNL1 0.1826 50 H -5.9614 0.5623 -2.3940 H 1 UNL1 0.1654 51 H -7.5574 -1.1119 1.9600 H 1 UNL1 0.1637 52 H -6.3841 -2.3427 1.4849 H 1 UNL1 0.1665 53 H -6.0387 -1.2811 2.8621 H 1 UNL1 0.1556 54 H 4.5366 -0.5125 2.6814 H 1 UNL1 0.1545 55 H 3.2552 -2.0007 -1.1594 H 1 UNL1 0.1726 56 H 4.2432 2.4311 1.6039 H 1 UNL1 0.1498 57 H 4.3551 0.0655 -1.9945 H 1 UNL1 0.1640 58 H 5.6801 -2.6633 3.1265 H 1 UNL1 0.1450 59 H 4.4198 -4.1363 -0.7097 H 1 UNL1 0.1475 60 H 5.9734 3.9307 0.6696 H 1 UNL1 0.1441 61 H 6.0908 1.5748 -2.9230 H 1 UNL1 0.1487 62 H -8.1072 -0.4047 -2.3868 H 1 UNL1 0.1351 63 H -6.8040 -1.6112 -2.7363 H 1 UNL1 0.1377 64 H -8.3672 -2.1488 -2.0209 H 1 UNL1 0.1540 65 H 5.6310 -4.4744 1.4317 H 1 UNL1 0.1443 66 H 6.9038 3.5055 -1.5908 H 1 UNL1 0.1444 @BOND 1 32 28 1 2 24 29 2 3 61 13 1 4 63 18 1 5 28 29 1 6 50 5 1 7 62 18 1 8 29 1 1 9 18 64 1 10 18 31 1 11 57 9 1 12 13 9 ar 13 13 15 ar 14 48 4 1 15 66 15 1 16 25 30 2 17 9 22 ar 18 5 4 ar 19 5 23 ar 20 39 26 1 21 15 12 ar 22 55 7 1 23 40 26 1 24 4 19 ar 25 1 26 1 26 1 46 1 27 1 37 1 28 31 23 1 29 59 11 1 30 26 33 1 31 30 37 am 32 30 35 1 33 23 20 ar 34 7 11 ar 35 7 21 ar 36 22 35 1 37 22 8 ar 38 37 27 1 39 11 14 ar 40 43 16 1 41 12 8 ar 42 12 60 1 43 19 16 1 44 19 3 ar 45 35 21 1 46 35 49 1 47 8 56 1 48 21 6 ar 49 33 38 ar 50 33 34 ar 51 16 38 1 52 16 44 1 53 20 3 ar 54 20 17 1 55 14 65 1 56 14 10 ar 57 3 47 1 58 27 42 1 59 27 34 1 60 27 41 1 61 38 2 ar 62 52 17 1 63 34 36 ar 64 17 51 1 65 17 53 1 66 6 10 ar 67 6 54 1 68 10 58 1 69 2 36 ar 70 2 45 1