@MOLECULE 1-[(3r)-1-(2-cyclohexyl-2-oxoethyl)-5-ethyl-9-methyl-2-oxo-2,3-dihydro-1h-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea 69 72 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.1830 1.0257 0.3597 C.3 1 UNL1 0.1915 2 C -0.2967 -2.7999 1.7409 C.ar 1 UNL1 -0.1291 3 C 0.0240 -3.9443 -0.3531 C.ar 1 UNL1 -0.1496 4 C 0.0687 -3.9424 1.0378 C.ar 1 UNL1 -0.1540 5 C 6.0536 -0.2640 -0.4433 C.ar 1 UNL1 -0.3055 6 C 5.4390 1.9490 0.3674 C.ar 1 UNL1 -0.2389 7 C 6.7674 2.3443 0.2389 C.ar 1 UNL1 -0.0790 8 C 7.7365 1.4572 -0.2203 C.ar 1 UNL1 -0.2467 9 C -2.5363 -0.6469 -1.7670 C.3 1 UNL1 -0.1769 10 C -2.0194 -0.6062 2.9737 C.3 1 UNL1 -0.2687 11 C -0.3634 -2.8511 -2.5487 C.3 1 UNL1 -0.4461 12 C -1.8711 0.4711 4.0436 C.3 1 UNL1 -0.4156 13 C 8.4219 -0.7981 -1.0486 C.3 1 UNL1 -0.4616 14 H 1.4000 -0.7173 0.3633 H 1 UNL1 0.3161 15 H 3.6387 -0.8453 -0.0066 H 1 UNL1 0.3114 16 C -0.3963 -2.8168 -1.0599 C.ar 1 UNL1 -0.0036 17 C 5.0818 0.6417 0.0191 C.ar 1 UNL1 0.2558 18 C 7.3785 0.1483 -0.5578 C.ar 1 UNL1 0.1036 19 O -1.1385 1.6653 -1.5584 O.2 1 UNL1 -0.4825 20 O -3.6975 -1.2188 0.2261 O.2 1 UNL1 -0.4492 21 O 2.6771 2.1949 0.1752 O.2 1 UNL1 -0.5072 22 C -6.0857 0.0694 -0.4127 C.3 1 UNL1 -0.2575 23 C -4.2871 1.8440 -0.4834 C.3 1 UNL1 -0.2668 24 C -7.1539 1.1442 -0.6448 C.3 1 UNL1 -0.2637 25 C -5.3598 2.9157 -0.7061 C.3 1 UNL1 -0.2559 26 C -6.6912 2.4911 -0.0733 C.3 1 UNL1 -0.2650 27 C -3.6879 -0.5268 -0.7584 C.2 1 UNL1 0.4298 28 C 2.6363 0.9855 0.1874 C.2 1 UNL1 0.7351 29 C -4.7580 0.4942 -1.0570 C.3 1 UNL1 -0.2020 30 C -0.7655 0.7620 -0.8491 C.2 1 UNL1 0.5334 31 C -1.0557 -0.4375 1.8300 C.2 1 UNL1 0.2769 32 C -0.8102 -1.6751 -0.3449 C.ar 1 UNL1 0.1714 33 C -0.7334 -1.6646 1.0598 C.ar 1 UNL1 -0.1562 34 N 1.4254 0.2779 0.2055 N.am 1 UNL1 -0.6626 35 N 3.7628 0.1477 0.1562 N.am 1 UNL1 -0.5864 36 N -1.2536 -0.5299 -1.0655 N.am 1 UNL1 -0.4825 37 N -0.5968 0.7333 1.5538 N.2 1 UNL1 -0.4673 38 H 0.4086 2.1465 0.3897 H 1 UNL1 0.2322 39 H -2.6172 -1.6292 -2.2847 H 1 UNL1 0.1696 40 H -2.5942 0.1428 -2.5563 H 1 UNL1 0.1912 41 H -0.2364 -2.7921 2.8306 H 1 UNL1 0.1651 42 H 0.3276 -4.8375 -0.8998 H 1 UNL1 0.1598 43 H 0.3953 -4.8321 1.5747 H 1 UNL1 0.1610 44 H -1.9256 -1.6122 3.4289 H 1 UNL1 0.1515 45 H -3.0513 -0.5835 2.5413 H 1 UNL1 0.1832 46 H -4.9033 0.5968 -2.1588 H 1 UNL1 0.1548 47 H -0.2198 -1.8498 -2.9880 H 1 UNL1 0.1765 48 H 0.4575 -3.4766 -2.9289 H 1 UNL1 0.1593 49 H -1.2957 -3.2644 -2.9625 H 1 UNL1 0.1606 50 H -5.9398 -0.0978 0.6736 H 1 UNL1 0.1561 51 H -6.4180 -0.9015 -0.8219 H 1 UNL1 0.1339 52 H -3.3354 2.1585 -0.9596 H 1 UNL1 0.1627 53 H -4.0704 1.7445 0.5980 H 1 UNL1 0.1508 54 H -0.8734 0.4494 4.4982 H 1 UNL1 0.1476 55 H -1.9945 1.4769 3.6134 H 1 UNL1 0.1691 56 H -2.6122 0.3495 4.8391 H 1 UNL1 0.1366 57 H 5.7769 -1.2774 -0.7146 H 1 UNL1 0.1561 58 H -7.3657 1.2443 -1.7253 H 1 UNL1 0.1334 59 H -8.1065 0.8391 -0.1755 H 1 UNL1 0.1293 60 H -5.0227 3.8766 -0.2745 H 1 UNL1 0.1360 61 H -5.4949 3.0995 -1.7879 H 1 UNL1 0.1349 62 H 4.6944 2.6587 0.7330 H 1 UNL1 0.1980 63 H -7.4603 3.2639 -0.2495 H 1 UNL1 0.1269 64 H -6.5791 2.4153 1.0245 H 1 UNL1 0.1385 65 H 7.0485 3.3639 0.5034 H 1 UNL1 0.1498 66 H 8.7686 1.7793 -0.3166 H 1 UNL1 0.1535 67 H 8.7951 -0.4925 -2.0380 H 1 UNL1 0.1632 68 H 9.2873 -0.8290 -0.3708 H 1 UNL1 0.1604 69 H 8.0537 -1.8272 -1.1464 H 1 UNL1 0.1534 @BOND 1 47 11 1 2 49 11 1 3 48 11 1 4 40 9 1 5 11 16 1 6 39 9 1 7 46 29 1 8 67 13 1 9 61 25 1 10 9 36 1 11 9 27 1 12 58 24 1 13 19 30 2 14 69 13 1 15 36 30 am 16 36 32 1 17 16 3 ar 18 16 32 ar 19 29 27 1 20 29 23 1 21 29 22 1 22 13 18 1 23 13 68 1 24 52 23 1 25 42 3 1 26 30 1 1 27 51 22 1 28 27 20 2 29 57 5 1 30 25 23 1 31 25 60 1 32 25 26 1 33 24 22 1 34 24 59 1 35 24 26 1 36 18 5 ar 37 18 8 ar 38 23 53 1 39 5 17 ar 40 22 50 1 41 3 4 ar 42 32 33 ar 43 66 8 1 44 63 26 1 45 8 7 ar 46 26 64 1 47 15 35 1 48 17 35 1 49 17 6 ar 50 35 28 am 51 21 28 2 52 28 34 am 53 34 1 1 54 34 14 1 55 7 6 ar 56 7 65 1 57 1 38 1 58 1 37 1 59 6 62 1 60 4 43 1 61 4 2 ar 62 33 2 ar 63 33 31 1 64 37 31 2 65 2 41 1 66 31 10 1 67 45 10 1 68 10 44 1 69 10 12 1 70 55 12 1 71 12 54 1 72 12 56 1