@MOLECULE 1-[3-({(2r)-2-[hydroxy(diphenyl)methyl]-1-pyrrolidinyl}sulfonyl)propyl]-2,4(1h,3h)-pyrimidinedione 60 63 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 7.5196 -1.4360 -1.1229 O.2 1 UNL1 -0.4721 2 C 6.4282 -1.1058 -0.7262 C.ar 1 UNL1 0.6221 3 N 6.3910 -0.2179 0.3909 N.ar 1 UNL1 -0.6251 4 C 5.2193 0.2548 0.9765 C.ar 1 UNL1 0.6967 5 N 4.0043 -0.1930 0.4050 N.ar 1 UNL1 -0.4444 6 C 3.9841 -1.0406 -0.6852 C.ar 1 UNL1 0.1549 7 C 5.1319 -1.4980 -1.2430 C.ar 1 UNL1 -0.4387 8 O 5.2253 1.0009 1.9327 O.2 1 UNL1 -0.5129 9 C 2.7417 0.3131 0.9673 C.3 1 UNL1 -0.0752 10 C 2.0412 1.2597 -0.0270 C.3 1 UNL1 -0.2730 11 C 0.7629 1.7886 0.6141 C.3 1 UNL1 -0.5739 12 S -0.3742 2.4650 -0.5900 S.O2 1 UNL1 2.3207 13 N -1.9108 2.1125 0.1851 N.3 1 UNL1 -0.7770 14 C -2.7845 3.2704 0.5077 C.3 1 UNL1 -0.0723 15 C -4.1143 3.0543 -0.2375 C.3 1 UNL1 -0.2907 16 C -4.2112 1.5316 -0.3727 C.3 1 UNL1 -0.2894 17 C -2.7447 1.0316 -0.4005 C.3 1 UNL1 0.0305 18 O -0.2341 3.9001 -0.6203 O.2 1 UNL1 -0.8965 19 O -0.3142 1.6771 -1.8012 O.2 1 UNL1 -0.9210 20 C -2.5946 -0.2643 0.4664 C.3 1 UNL1 0.2507 21 O -2.7529 0.0691 1.8329 O.3 1 UNL1 -0.5644 22 C -3.6998 -1.2509 0.1397 C.ar 1 UNL1 -0.0518 23 C -4.5264 -1.7319 1.1539 C.ar 1 UNL1 -0.1332 24 C -5.5254 -2.6570 0.8559 C.ar 1 UNL1 -0.1444 25 C -5.6989 -3.1018 -0.4527 C.ar 1 UNL1 -0.1460 26 C -4.8711 -2.6208 -1.4665 C.ar 1 UNL1 -0.1386 27 C -3.8720 -1.6975 -1.1722 C.ar 1 UNL1 -0.1716 28 C -1.2824 -1.0076 0.3060 C.ar 1 UNL1 -0.0758 29 C -0.7470 -1.6515 1.4243 C.ar 1 UNL1 -0.1301 30 C 0.3728 -2.4689 1.2941 C.ar 1 UNL1 -0.1662 31 C 0.9609 -2.6531 0.0437 C.ar 1 UNL1 -0.1648 32 C 0.4459 -1.9890 -1.0675 C.ar 1 UNL1 -0.1577 33 C -0.6684 -1.1619 -0.9370 C.ar 1 UNL1 -0.1342 34 H 7.2778 0.0950 0.7953 H 1 UNL1 0.3471 35 H 2.9878 -1.3207 -1.0625 H 1 UNL1 0.1802 36 H 5.1406 -2.1716 -2.0967 H 1 UNL1 0.2051 37 H 2.0827 -0.5535 1.2171 H 1 UNL1 0.1577 38 H 2.9501 0.8444 1.9292 H 1 UNL1 0.1805 39 H 2.7252 2.0897 -0.3039 H 1 UNL1 0.1645 40 H 1.8288 0.7171 -0.9758 H 1 UNL1 0.1706 41 H 0.2507 0.9745 1.1772 H 1 UNL1 0.1926 42 H 1.0060 2.5590 1.3762 H 1 UNL1 0.1899 43 H -2.9441 3.2693 1.6090 H 1 UNL1 0.1355 44 H -2.3251 4.2488 0.2505 H 1 UNL1 0.1619 45 H -4.9690 3.4783 0.3098 H 1 UNL1 0.1436 46 H -4.1020 3.5453 -1.2261 H 1 UNL1 0.1476 47 H -4.7587 1.0971 0.4862 H 1 UNL1 0.1630 48 H -4.7597 1.2219 -1.2746 H 1 UNL1 0.1477 49 H -2.4519 0.7993 -1.4570 H 1 UNL1 0.1617 50 H -2.3806 0.9639 2.0028 H 1 UNL1 0.3426 51 H -4.3907 -1.3873 2.1811 H 1 UNL1 0.1733 52 H -6.1668 -3.0328 1.6508 H 1 UNL1 0.1505 53 H -6.4768 -3.8260 -0.6839 H 1 UNL1 0.1478 54 H -5.0023 -2.9695 -2.4891 H 1 UNL1 0.1517 55 H -3.2224 -1.3362 -1.9670 H 1 UNL1 0.1527 56 H -1.2273 -1.5332 2.3983 H 1 UNL1 0.1717 57 H 0.7746 -2.9814 2.1659 H 1 UNL1 0.1517 58 H 1.8098 -3.3253 -0.0627 H 1 UNL1 0.1485 59 H 0.8977 -2.1261 -2.0483 H 1 UNL1 0.1503 60 H -1.0456 -0.6393 -1.8202 H 1 UNL1 0.1756 @BOND 1 54 26 1 2 36 7 1 3 59 32 1 4 55 27 1 5 60 33 1 6 19 12 2 7 26 27 ar 8 26 25 ar 9 49 17 1 10 48 16 1 11 7 2 ar 12 7 6 ar 13 46 15 1 14 27 22 ar 15 1 2 2 16 32 33 ar 17 32 31 ar 18 35 6 1 19 40 10 1 20 33 28 ar 21 2 3 ar 22 6 5 ar 23 53 25 1 24 18 12 2 25 12 13 1 26 12 11 1 27 25 24 ar 28 17 16 1 29 17 13 1 30 17 20 1 31 16 15 1 32 16 47 1 33 39 10 1 34 15 45 1 35 15 14 1 36 58 31 1 37 10 11 1 38 10 9 1 39 31 30 ar 40 22 20 1 41 22 23 ar 42 13 14 1 43 44 14 1 44 28 20 1 45 28 29 ar 46 3 34 1 47 3 4 ar 48 5 9 1 49 5 4 ar 50 20 21 1 51 14 43 1 52 11 41 1 53 11 42 1 54 24 23 ar 55 24 52 1 56 9 37 1 57 9 38 1 58 4 8 2 59 23 51 1 60 30 29 ar 61 30 57 1 62 29 56 1 63 21 50 1