@MOLECULE n-{2-[(3r)-6-chloro-1'-{[(3s,4r)-4-(2,4-difluorophenyl)-1-(2-methyl-2-propanyl)-3-pyrrolidinyl]carbonyl}-5-methyl-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-propanyl}acetamide 86 90 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -4.2792 0.9802 0.6695 C.3 1 UNL1 -0.1730 2 C 2.8175 0.7689 -0.2076 C.3 1 UNL1 -0.2301 3 C 4.0352 0.1265 -0.9085 C.3 1 UNL1 -0.1288 4 C -2.4814 -2.0291 -0.5489 C.ar 1 UNL1 -0.1619 5 C -5.0361 -1.5036 0.5259 C.ar 1 UNL1 -0.1929 6 C 4.5613 -1.0786 1.2756 C.ar 1 UNL1 -0.0996 7 C 6.4962 -2.6482 -0.0253 C.ar 1 UNL1 -0.2808 8 C 5.2859 -2.0212 2.0034 C.ar 1 UNL1 -0.2450 9 C -5.5200 3.1603 0.2802 C.3 1 UNL1 -0.4923 10 C -5.9138 1.2112 -1.2763 C.3 1 UNL1 -0.4850 11 C -5.6599 -3.9243 0.3566 C.3 1 UNL1 -0.4465 12 C 6.3165 1.7046 1.5142 C.3 1 UNL1 -0.5110 13 C 5.2518 3.9831 1.5390 C.3 1 UNL1 -0.4760 14 C 6.8751 3.3869 -0.2725 C.3 1 UNL1 -0.4710 15 C -8.9723 0.9105 1.8948 C.3 1 UNL1 -0.5363 16 H -6.4150 0.5888 1.8569 H 1 UNL1 0.3067 17 C -3.4173 -3.0415 -0.3534 C.ar 1 UNL1 -0.0205 18 C -4.6861 -2.8154 0.1725 C.ar 1 UNL1 0.0335 19 C 4.7688 -0.8921 -0.0923 C.ar 1 UNL1 -0.0912 20 C 5.7401 -1.6988 -0.7066 C.ar 1 UNL1 0.2041 21 C 6.2416 -2.7846 1.3379 C.ar 1 UNL1 0.2228 22 O 1.9013 0.8799 -2.4214 O.2 1 UNL1 -0.5251 23 O -8.3813 2.2076 -0.0263 O.2 1 UNL1 -0.5410 24 C -3.0279 1.6456 0.0349 C.3 1 UNL1 -0.2889 25 C -1.4520 0.6745 -1.7257 C.3 1 UNL1 -0.3214 26 C -0.8691 0.4404 0.7155 C.3 1 UNL1 -0.3216 27 C -0.5002 1.8815 -1.7985 C.3 1 UNL1 -0.0663 28 C 0.0867 1.6382 0.5616 C.3 1 UNL1 -0.0700 29 C 3.3762 2.0604 0.4439 C.3 1 UNL1 -0.0978 30 C 4.9408 1.3505 -1.2226 C.3 1 UNL1 -0.0954 31 C 1.7466 1.1018 -1.2378 C.2 1 UNL1 0.5725 32 C -8.0168 1.4960 0.8857 C.2 1 UNL1 0.6235 33 C -2.8516 -0.7427 -0.1983 C.ar 1 UNL1 -0.0573 34 C -4.1242 -0.4786 0.3385 C.ar 1 UNL1 -0.0023 35 CL -2.9612 -4.6317 -0.7910 Cl 1 UNL1 -0.0847 36 N -6.6893 1.1557 1.0722 N.am 1 UNL1 -0.6600 37 F 5.9668 -1.5551 -2.0024 F 1 UNL1 -0.1557 38 F 6.9377 -3.6754 2.0254 F 1 UNL1 -0.1632 39 C -5.6103 1.6265 0.1683 C.3 1 UNL1 0.3204 40 C 5.7504 2.8358 0.6318 C.3 1 UNL1 0.2853 41 N 4.6318 2.4287 -0.2553 N.3 1 UNL1 -0.4679 42 N 0.5895 1.7586 -0.8124 N.am 1 UNL1 -0.4900 43 C -2.0190 0.5090 -0.3077 C.3 1 UNL1 0.0708 44 H -4.2225 1.1053 1.7791 H 1 UNL1 0.1499 45 H -3.3010 2.1921 -0.8848 H 1 UNL1 0.1560 46 H -2.5912 2.3901 0.7149 H 1 UNL1 0.1414 47 H -2.2694 0.7849 -2.4613 H 1 UNL1 0.1539 48 H -0.9062 -0.2420 -2.0282 H 1 UNL1 0.1621 49 H -0.3121 -0.5068 0.5809 H 1 UNL1 0.1537 50 H -1.2756 0.4084 1.7424 H 1 UNL1 0.1492 51 H -1.4964 -2.2401 -0.9649 H 1 UNL1 0.1773 52 H -6.0268 -1.3078 0.9272 H 1 UNL1 0.1620 53 H 2.3788 0.0807 0.5464 H 1 UNL1 0.1598 54 H -0.0653 1.9702 -2.8228 H 1 UNL1 0.1710 55 H -1.0426 2.8308 -1.5971 H 1 UNL1 0.1370 56 H -0.4422 2.5889 0.8111 H 1 UNL1 0.1457 57 H 0.9237 1.5595 1.2849 H 1 UNL1 0.1358 58 H 3.7006 -0.3455 -1.8729 H 1 UNL1 0.1949 59 H 2.6818 2.9209 0.3126 H 1 UNL1 0.1563 60 H 3.5158 1.9099 1.5318 H 1 UNL1 0.1220 61 H 6.0112 1.0854 -1.2466 H 1 UNL1 0.1382 62 H 4.6772 1.7533 -2.2301 H 1 UNL1 0.1631 63 H -5.2288 3.4789 1.2842 H 1 UNL1 0.1458 64 H -4.8120 3.5816 -0.4382 H 1 UNL1 0.1520 65 H -6.4979 3.6190 0.0607 H 1 UNL1 0.1827 66 H -6.8088 1.7281 -1.6563 H 1 UNL1 0.1830 67 H -5.0819 1.4480 -1.9459 H 1 UNL1 0.1525 68 H -6.1082 0.1353 -1.3565 H 1 UNL1 0.1593 69 H -5.9096 -4.4037 -0.6049 H 1 UNL1 0.1721 70 H -5.2577 -4.7137 1.0117 H 1 UNL1 0.1685 71 H -6.6072 -3.5921 0.8015 H 1 UNL1 0.1557 72 H 3.8226 -0.4736 1.8033 H 1 UNL1 0.1582 73 H 7.2464 -3.2546 -0.5320 H 1 UNL1 0.1962 74 H 5.1062 -2.1521 3.0690 H 1 UNL1 0.1769 75 H 6.6825 0.8685 0.9094 H 1 UNL1 0.1543 76 H 7.1561 2.0623 2.1185 H 1 UNL1 0.1512 77 H 5.5627 1.3077 2.1989 H 1 UNL1 0.1437 78 H 4.5711 3.6312 2.3173 H 1 UNL1 0.1383 79 H 6.0906 4.4776 2.0372 H 1 UNL1 0.1459 80 H 4.7222 4.7391 0.9456 H 1 UNL1 0.1620 81 H 6.4664 4.1065 -0.9941 H 1 UNL1 0.1641 82 H 7.6404 3.8977 0.3180 H 1 UNL1 0.1445 83 H 7.3721 2.5962 -0.8418 H 1 UNL1 0.1462 84 H -9.9815 1.3252 1.7357 H 1 UNL1 0.1875 85 H -9.0511 -0.1788 1.7883 H 1 UNL1 0.1735 86 H -8.6862 1.1398 2.9273 H 1 UNL1 0.1676 @BOND 1 54 27 1 2 47 25 1 3 22 31 2 4 62 30 1 5 48 25 1 6 37 20 1 7 67 10 1 8 58 3 1 9 27 25 1 10 27 55 1 11 27 42 1 12 25 43 1 13 66 10 1 14 68 10 1 15 10 39 1 16 61 30 1 17 31 42 am 18 31 2 1 19 30 3 1 20 30 41 1 21 81 14 1 22 51 4 1 23 3 2 1 24 3 19 1 25 45 24 1 26 83 14 1 27 42 28 1 28 35 17 1 29 20 19 ar 30 20 7 ar 31 69 11 1 32 4 17 ar 33 4 33 ar 34 73 7 1 35 64 9 1 36 17 18 ar 37 43 33 1 38 43 24 1 39 43 26 1 40 14 82 1 41 14 40 1 42 41 29 1 43 41 40 1 44 2 29 1 45 2 53 1 46 33 34 ar 47 19 6 ar 48 23 32 2 49 7 21 ar 50 24 1 1 51 24 46 1 52 65 9 1 53 39 9 1 54 39 1 1 55 39 36 1 56 18 11 1 57 18 5 ar 58 9 63 1 59 59 29 1 60 34 5 ar 61 34 1 1 62 11 71 1 63 11 70 1 64 29 60 1 65 5 52 1 66 28 26 1 67 28 56 1 68 28 57 1 69 49 26 1 70 40 12 1 71 40 13 1 72 1 44 1 73 26 50 1 74 32 36 am 75 32 15 1 76 75 12 1 77 80 13 1 78 36 16 1 79 6 72 1 80 6 8 ar 81 21 8 ar 82 21 38 1 83 12 76 1 84 12 77 1 85 13 79 1 86 13 78 1 87 84 15 1 88 85 15 1 89 15 86 1 90 8 74 1