@MOLECULE n-{(1r)-1-[3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl]ethyl}-2-[4-fluoro-3-(trifluoromethyl)phenyl]-n-(3-pyridinylmethyl)acetamide 71 75 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F 3.6802 4.9718 -0.3906 F 1 UNL1 -0.1478 2 F 3.8281 1.4482 -2.3683 F 1 UNL1 -0.1992 3 F 4.6955 3.3361 -2.0622 F 1 UNL1 -0.1977 4 F 4.8401 1.8568 -0.5626 F 1 UNL1 -0.1875 5 O 0.7315 0.0473 0.9760 O.2 1 UNL1 -0.5029 6 O 1.0620 -3.3053 -1.8755 O.2 1 UNL1 -0.4674 7 O -4.5353 -1.2129 -2.8524 O.3 1 UNL1 -0.3395 8 N -1.4437 -0.3710 1.2993 N.am 1 UNL1 -0.5437 9 N -0.0180 -2.6492 0.0112 N.am 1 UNL1 -0.4856 10 N 1.0261 -2.7578 2.1422 N.2 1 UNL1 -0.4652 11 N 3.1294 -3.7625 2.4330 N.2 1 UNL1 -0.3766 12 N -4.9253 2.9795 1.9915 N.ar 1 UNL1 -0.3592 13 C -1.1164 -1.5911 2.0597 C.3 1 UNL1 0.1390 14 C 0.0436 -2.3507 1.3781 C.3 1 UNL1 0.4100 15 C -2.8580 -0.0394 1.1340 C.3 1 UNL1 -0.0579 16 C -0.7533 -1.2431 3.5054 C.3 1 UNL1 -0.4616 17 C -0.4130 0.4077 0.7911 C.2 1 UNL1 0.5934 18 C -0.7616 1.6203 -0.0457 C.3 1 UNL1 -0.3688 19 C 1.1162 -3.1943 -0.6741 C.2 1 UNL1 0.6018 20 C -1.1528 -2.2923 -0.7888 C.ar 1 UNL1 0.1043 21 C -3.2868 1.2151 1.8444 C.ar 1 UNL1 -0.1364 22 C 2.2249 -3.5824 0.1818 C.3 1 UNL1 -0.3300 23 C 2.1338 -3.3802 1.5825 C.2 1 UNL1 0.4059 24 C 0.4254 2.5236 -0.1478 C.ar 1 UNL1 -0.0272 25 C -1.0085 -1.3530 -1.8143 C.ar 1 UNL1 -0.0784 26 C -2.3878 -2.9120 -0.5454 C.ar 1 UNL1 -0.1189 27 C -2.5768 1.7776 2.9039 C.ar 1 UNL1 -0.0901 28 C 3.3920 -4.1477 -0.3512 C.2 1 UNL1 0.0259 29 C -4.4660 1.8530 1.4221 C.ar 1 UNL1 0.0242 30 C 1.6074 2.0464 -0.7233 C.ar 1 UNL1 -0.0222 31 C 0.3551 3.8284 0.3440 C.ar 1 UNL1 -0.0868 32 C -2.1213 -0.9579 -2.5513 C.ar 1 UNL1 -0.3008 33 C -3.5003 -2.5218 -1.2717 C.ar 1 UNL1 -0.2461 34 C 2.7180 2.8817 -0.8248 C.ar 1 UNL1 -0.2138 35 C -3.3603 -1.5312 -2.2606 C.ar 1 UNL1 0.2502 36 C 4.4076 -4.5117 0.5134 C.2 1 UNL1 -0.3020 37 C -3.0481 2.9454 3.4984 C.ar 1 UNL1 -0.2343 38 C 1.4598 4.6728 0.2652 C.ar 1 UNL1 -0.2309 39 C 4.2258 -4.3055 1.8997 C.2 1 UNL1 0.1216 40 C 2.6252 4.1806 -0.3172 C.ar 1 UNL1 0.2414 41 C -4.2295 3.5178 3.0111 C.ar 1 UNL1 0.0460 42 C 3.9913 2.3911 -1.4393 C.3 1 UNL1 0.5623 43 C -4.5026 -0.2571 -3.9214 C.3 1 UNL1 -0.0202 44 C -5.9631 -0.1445 -4.3306 C.3 1 UNL1 -0.4643 45 H -2.0110 -2.2764 2.0515 H 1 UNL1 0.1541 46 H -3.4904 -0.8896 1.4988 H 1 UNL1 0.1657 47 H -3.0807 0.0404 0.0364 H 1 UNL1 0.1606 48 H 0.1277 -0.5811 3.5451 H 1 UNL1 0.1869 49 H -1.5829 -0.7610 4.0272 H 1 UNL1 0.1426 50 H -0.4643 -2.1430 4.0724 H 1 UNL1 0.1864 51 H -1.0806 1.2756 -1.0587 H 1 UNL1 0.1896 52 H -1.6398 2.1635 0.3609 H 1 UNL1 0.1769 53 H -0.0213 -0.9411 -2.0412 H 1 UNL1 0.1802 54 H -2.4671 -3.7018 0.2018 H 1 UNL1 0.1657 55 H -1.6535 1.3127 3.2613 H 1 UNL1 0.1800 56 H 3.4766 -4.2894 -1.4333 H 1 UNL1 0.1784 57 H -5.0731 1.4570 0.5988 H 1 UNL1 0.1735 58 H 1.6544 1.0074 -1.0686 H 1 UNL1 0.1881 59 H -0.5657 4.1939 0.7994 H 1 UNL1 0.1543 60 H -2.0038 -0.2342 -3.3512 H 1 UNL1 0.1683 61 H -4.4739 -2.9779 -1.1062 H 1 UNL1 0.1759 62 H 5.3317 -4.9478 0.1472 H 1 UNL1 0.1746 63 H -2.5124 3.4049 4.3253 H 1 UNL1 0.1712 64 H 1.4123 5.6885 0.6551 H 1 UNL1 0.1778 65 H 5.0061 -4.5911 2.6198 H 1 UNL1 0.1727 66 H -4.6471 4.4368 3.4383 H 1 UNL1 0.1725 67 H -3.8676 -0.6487 -4.7358 H 1 UNL1 0.1308 68 H -4.0982 0.6979 -3.5425 H 1 UNL1 0.1268 69 H -6.0893 0.5508 -5.1683 H 1 UNL1 0.1572 70 H -6.5867 0.2085 -3.4984 H 1 UNL1 0.1616 71 H -6.3673 -1.1189 -4.6389 H 1 UNL1 0.1646 @BOND 1 69 44 1 2 67 43 1 3 71 44 1 4 44 43 1 5 44 70 1 6 43 68 1 7 43 7 1 8 60 32 1 9 7 35 1 10 32 35 ar 11 32 25 ar 12 2 42 1 13 35 33 ar 14 3 42 1 15 53 25 1 16 6 19 2 17 25 20 ar 18 42 34 1 19 42 4 1 20 56 28 1 21 33 61 1 22 33 26 ar 23 58 30 1 24 51 18 1 25 34 30 ar 26 34 40 ar 27 20 26 ar 28 20 9 1 29 30 24 ar 30 19 9 am 31 19 22 1 32 26 54 1 33 1 40 1 34 28 22 1 35 28 36 2 36 40 38 ar 37 24 18 1 38 24 31 ar 39 18 52 1 40 18 17 1 41 9 14 1 42 47 15 1 43 62 36 1 44 22 23 1 45 38 31 ar 46 38 64 1 47 31 59 1 48 36 39 1 49 57 29 1 50 17 5 2 51 17 8 am 52 15 8 1 53 15 46 1 54 15 21 1 55 8 13 1 56 14 13 1 57 14 10 1 58 29 21 ar 59 29 12 ar 60 23 10 2 61 23 11 1 62 21 27 ar 63 39 11 2 64 39 65 1 65 12 41 ar 66 45 13 1 67 13 16 1 68 27 55 1 69 27 37 ar 70 41 66 1 71 41 37 ar 72 37 63 1 73 16 48 1 74 16 49 1 75 16 50 1