@MOLECULE 1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1h-imidazo[4,5-c]pyridine-6-carboxylic acid 65 70 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 5.9112 1.0755 -0.3773 O.3 1 UNL1 -0.3116 2 O 3.8949 -0.9474 -0.5410 O.3 1 UNL1 -0.2981 3 O -2.1948 -0.4753 1.6278 O.2 1 UNL1 -0.5306 4 O 1.4592 -2.6411 0.3020 O.3 1 UNL1 -0.5660 5 O 0.5739 -2.0547 -1.6581 O.2 1 UNL1 -0.4885 6 N -1.0549 -0.1644 -0.2788 N.am 1 UNL1 -0.5130 7 N 2.4177 1.9712 -1.0868 N.ar 1 UNL1 -0.2676 8 N 0.7886 2.1020 -2.6394 N.ar 1 UNL1 -0.3661 9 C 0.1425 -0.7013 0.3699 C.3 1 UNL1 0.0462 10 C 1.2606 0.3557 0.5768 C.3 1 UNL1 -0.2934 11 C 1.3799 1.1546 -0.6530 C.ar 1 UNL1 0.0009 12 C -0.8869 0.4789 -1.5961 C.3 1 UNL1 -0.0308 13 C 0.3817 1.2503 -1.6294 C.ar 1 UNL1 0.0025 14 C 3.7304 2.0653 -0.4871 C.3 1 UNL1 -0.1350 15 C -2.2261 -0.1226 0.4657 C.2 1 UNL1 0.5956 16 C 4.7869 1.2108 -1.2410 C.3 1 UNL1 0.0355 17 C -3.5324 0.2571 -0.2252 C.3 1 UNL1 -0.2061 18 C 2.0210 2.5262 -2.3123 C.ar 1 UNL1 0.0579 19 C 0.7067 -1.8305 -0.4877 C.2 1 UNL1 0.6170 20 C 4.2961 -0.1733 -1.6660 C.3 1 UNL1 -0.1093 21 C -4.3029 1.2945 0.5494 C.ar 1 UNL1 0.0079 22 C -4.3069 -1.0306 -0.3631 C.ar 1 UNL1 -0.0123 23 C 5.7357 0.1347 0.6047 C.ar 1 UNL1 0.0963 24 C 4.7581 -0.8642 0.5135 C.ar 1 UNL1 0.1083 25 C -5.6620 1.4643 0.2666 C.ar 1 UNL1 -0.1656 26 C -4.5496 -1.5648 -1.6287 C.ar 1 UNL1 -0.1578 27 C -3.6892 2.1091 1.5008 C.ar 1 UNL1 -0.1515 28 C -4.7735 -1.6895 0.7766 C.ar 1 UNL1 -0.1322 29 C 6.5853 0.1991 1.7047 C.ar 1 UNL1 -0.1786 30 C 4.5859 -1.7903 1.5392 C.ar 1 UNL1 -0.1792 31 C -6.4023 2.4310 0.9400 C.ar 1 UNL1 -0.1402 32 C -5.2672 -2.7530 -1.7519 C.ar 1 UNL1 -0.1501 33 C -4.4327 3.0800 2.1705 C.ar 1 UNL1 -0.1399 34 C -5.4932 -2.8738 0.6489 C.ar 1 UNL1 -0.1470 35 C -5.7880 3.2422 1.8934 C.ar 1 UNL1 -0.1548 36 C -5.7417 -3.4056 -0.6160 C.ar 1 UNL1 -0.1472 37 C 6.4261 -0.7419 2.7210 C.ar 1 UNL1 -0.1565 38 C 5.4314 -1.7184 2.6441 C.ar 1 UNL1 -0.1442 39 H 1.8916 -3.3805 -0.1931 H 1 UNL1 0.3584 40 H -0.1409 -1.1284 1.3852 H 1 UNL1 0.2207 41 H 2.2090 -0.1537 0.8598 H 1 UNL1 0.1848 42 H 0.9964 1.0046 1.4428 H 1 UNL1 0.1787 43 H -1.7502 1.1491 -1.8261 H 1 UNL1 0.1628 44 H -0.8638 -0.3210 -2.3879 H 1 UNL1 0.1871 45 H 3.6851 1.7366 0.5813 H 1 UNL1 0.1787 46 H 4.0641 3.1301 -0.4631 H 1 UNL1 0.1682 47 H 5.2195 1.7714 -2.1016 H 1 UNL1 0.1645 48 H -3.3429 0.6953 -1.2449 H 1 UNL1 0.1788 49 H 2.6244 3.2112 -2.8781 H 1 UNL1 0.1872 50 H 3.3760 -0.1477 -2.2838 H 1 UNL1 0.1790 51 H 5.0875 -0.7312 -2.2025 H 1 UNL1 0.1552 52 H -6.1467 0.8308 -0.4755 H 1 UNL1 0.1580 53 H -4.1789 -1.0646 -2.5209 H 1 UNL1 0.1532 54 H -2.6332 1.9862 1.7414 H 1 UNL1 0.1646 55 H -4.5610 -1.2736 1.7650 H 1 UNL1 0.1774 56 H 7.3495 0.9707 1.7614 H 1 UNL1 0.1703 57 H 3.8014 -2.5431 1.4684 H 1 UNL1 0.1813 58 H -7.4614 2.5522 0.7221 H 1 UNL1 0.1467 59 H -5.4541 -3.1726 -2.7378 H 1 UNL1 0.1465 60 H -3.9504 3.7098 2.9154 H 1 UNL1 0.1476 61 H -5.8573 -3.3854 1.5375 H 1 UNL1 0.1510 62 H -6.3669 3.9975 2.4192 H 1 UNL1 0.1454 63 H -6.3028 -4.3316 -0.7155 H 1 UNL1 0.1459 64 H 7.0837 -0.7087 3.5881 H 1 UNL1 0.1563 65 H 5.3137 -2.4343 3.4564 H 1 UNL1 0.1568 @BOND 1 49 18 1 2 59 32 1 3 8 18 ar 4 8 13 ar 5 53 26 1 6 44 12 1 7 18 7 ar 8 50 20 1 9 51 20 1 10 47 16 1 11 43 12 1 12 32 26 ar 13 32 36 ar 14 20 16 1 15 20 2 1 16 5 19 2 17 13 12 1 18 13 11 ar 19 26 22 ar 20 12 6 1 21 48 17 1 22 16 14 1 23 16 1 1 24 7 11 ar 25 7 14 1 26 63 36 1 27 11 10 1 28 36 34 ar 29 2 24 1 30 19 4 1 31 19 9 1 32 14 46 1 33 14 45 1 34 52 25 1 35 1 23 1 36 22 17 1 37 22 28 ar 38 6 9 1 39 6 15 am 40 17 15 1 41 17 21 1 42 39 4 1 43 25 21 ar 44 25 31 ar 45 9 10 1 46 9 40 1 47 15 3 2 48 24 23 ar 49 24 30 ar 50 21 27 ar 51 10 41 1 52 10 42 1 53 23 29 ar 54 34 28 ar 55 34 61 1 56 58 31 1 57 28 55 1 58 31 35 ar 59 57 30 1 60 27 54 1 61 27 33 ar 62 30 38 ar 63 29 56 1 64 29 37 ar 65 35 33 ar 66 35 62 1 67 33 60 1 68 38 37 ar 69 38 65 1 70 37 64 1