@MOLECULE 5-[(1r)-3-amino-4-fluoro-1-{3-[5-(1-propyn-1-yl)-3-pyridinyl]phenyl}-1h-isoindol-1-yl]-1-ethyl-3-methyl-2(1h)-pyridinone 61 65 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 4.3206 3.1502 2.3298 C.3 1 UNL1 -0.4640 2 C 2.8953 3.6489 2.0811 C.3 1 UNL1 -0.0692 3 N 2.3027 2.9864 0.9043 N.ar 1 UNL1 -0.3870 4 C 2.0024 1.6500 0.9831 C.ar 1 UNL1 0.1074 5 C 1.5279 0.9655 -0.1090 C.ar 1 UNL1 -0.2141 6 C 1.2995 1.6603 -1.3308 C.ar 1 UNL1 -0.0654 7 C 1.6068 2.9802 -1.4360 C.ar 1 UNL1 -0.1411 8 C 2.1428 3.7207 -0.3011 C.ar 1 UNL1 0.5595 9 O 2.4506 4.8965 -0.2928 O.2 1 UNL1 -0.5347 10 C 1.4554 3.7587 -2.6910 C.3 1 UNL1 -0.4196 11 C 1.3296 -0.5233 -0.0554 C.3 1 UNL1 0.2103 12 C 2.5585 -1.1782 -0.7148 C.ar 1 UNL1 0.0219 13 C 3.0879 -1.0238 -1.9793 C.ar 1 UNL1 -0.1946 14 C 4.2628 -1.7165 -2.3026 C.ar 1 UNL1 -0.0647 15 C 4.8938 -2.5432 -1.3786 C.ar 1 UNL1 -0.2419 16 C 4.3428 -2.6699 -0.0980 C.ar 1 UNL1 0.2417 17 C 3.1890 -1.9953 0.2526 C.ar 1 UNL1 -0.2121 18 C 2.3880 -1.8498 1.4924 C.2 1 UNL1 0.3936 19 N 1.3649 -1.0295 1.3498 N.2 1 UNL1 -0.5395 20 N 2.7049 -2.4074 2.7078 N.pl3 1 UNL1 -0.5909 21 F 4.9511 -3.4451 0.7827 F 1 UNL1 -0.1696 22 C 0.0004 -0.9578 -0.6334 C.ar 1 UNL1 -0.0023 23 C -0.0947 -1.7217 -1.7944 C.ar 1 UNL1 -0.1699 24 C -1.3432 -2.1570 -2.2383 C.ar 1 UNL1 -0.1389 25 C -2.4917 -1.8440 -1.5203 C.ar 1 UNL1 -0.1509 26 C -2.4002 -1.0678 -0.3593 C.ar 1 UNL1 -0.0146 27 C -1.1545 -0.6138 0.0745 C.ar 1 UNL1 -0.1119 28 C -3.6093 -0.7719 0.4088 C.ar 1 UNL1 -0.0920 29 C -4.7812 -0.3556 -0.2240 C.ar 1 UNL1 -0.0966 30 C -5.9340 -0.1377 0.5389 C.ar 1 UNL1 -0.0389 31 C -5.8592 -0.3342 1.9332 C.ar 1 UNL1 0.0470 32 N -4.7273 -0.7170 2.5469 N.ar 1 UNL1 -0.3614 33 C -3.6265 -0.9332 1.8062 C.ar 1 UNL1 0.0465 34 C -7.1359 0.2578 -0.0651 C.1 1 UNL1 -0.1520 35 C -8.1754 0.5941 -0.5933 C.1 1 UNL1 -0.0112 36 C -9.4012 0.9847 -1.2097 C.3 1 UNL1 -0.4051 37 H 4.7737 3.6708 3.1815 H 1 UNL1 0.1551 38 H 4.3518 2.0753 2.5423 H 1 UNL1 0.1523 39 H 4.9628 3.3291 1.4570 H 1 UNL1 0.1628 40 H 2.2500 3.4657 2.9689 H 1 UNL1 0.1431 41 H 2.8991 4.7553 1.9083 H 1 UNL1 0.1809 42 H 2.1558 1.1590 1.9561 H 1 UNL1 0.1898 43 H 0.8730 1.1105 -2.1720 H 1 UNL1 0.1630 44 H 0.9710 4.7320 -2.5042 H 1 UNL1 0.1698 45 H 2.4412 3.9904 -3.1291 H 1 UNL1 0.1609 46 H 0.8650 3.2348 -3.4510 H 1 UNL1 0.1492 47 H 2.6180 -0.3673 -2.7102 H 1 UNL1 0.1742 48 H 4.6928 -1.5994 -3.2988 H 1 UNL1 0.1586 49 H 5.8074 -3.0734 -1.6437 H 1 UNL1 0.1781 50 H 3.2966 -3.2087 2.7451 H 1 UNL1 0.3049 51 H 2.0257 -2.3259 3.4458 H 1 UNL1 0.3127 52 H 0.7936 -2.0023 -2.3553 H 1 UNL1 0.1527 53 H -1.0674 -0.0052 0.9783 H 1 UNL1 0.1799 54 H -1.4150 -2.7573 -3.1424 H 1 UNL1 0.1472 55 H -3.4598 -2.2150 -1.8510 H 1 UNL1 0.1532 56 H -4.8025 -0.1959 -1.3020 H 1 UNL1 0.1674 57 H -2.7327 -1.2537 2.3567 H 1 UNL1 0.1822 58 H -6.7312 -0.1795 2.5773 H 1 UNL1 0.1745 59 H -9.9789 1.6841 -0.5761 H 1 UNL1 0.1719 60 H -9.2348 1.4927 -2.1778 H 1 UNL1 0.1708 61 H -10.0571 0.1157 -1.4098 H 1 UNL1 0.1713 @BOND 1 46 10 1 2 48 14 1 3 54 24 1 4 45 10 1 5 47 13 1 6 10 44 1 7 10 7 1 8 52 23 1 9 14 13 ar 10 14 15 ar 11 24 23 ar 12 24 25 ar 13 60 36 1 14 43 6 1 15 13 12 ar 16 55 25 1 17 23 22 ar 18 49 15 1 19 25 26 ar 20 7 6 ar 21 7 8 ar 22 61 36 1 23 15 16 ar 24 6 5 ar 25 56 29 1 26 36 35 1 27 36 59 1 28 12 11 1 29 12 17 ar 30 22 11 1 31 22 27 ar 32 35 34 3 33 26 27 ar 34 26 28 1 35 8 9 2 36 8 3 ar 37 29 28 ar 38 29 30 ar 39 5 11 1 40 5 4 ar 41 16 17 ar 42 16 21 1 43 34 30 1 44 11 19 1 45 27 53 1 46 17 18 1 47 28 33 ar 48 30 31 ar 49 3 4 ar 50 3 2 1 51 4 42 1 52 19 18 2 53 39 1 1 54 18 20 1 55 33 57 1 56 33 32 ar 57 41 2 1 58 31 32 ar 59 31 58 1 60 2 1 1 61 2 40 1 62 1 38 1 63 1 37 1 64 20 50 1 65 20 51 1