@MOLECULE 1-[(2s,4s)-4-fluoro-2-{(r)-hydroxy[5-(2-methyl-2-propanyl)-1,3,4-oxadiazol-2-yl]methyl}-1-pyrrolidinyl]-2-[(1-hydroxy-2-methyl-2-propanyl)amino]ethanone 55 56 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.3086 2.2083 -0.7174 C.3 1 UNL1111 0.0735 2 C 2.4769 2.7192 0.1481 C.3 1 UNL1111 -0.3511 3 C 1.9732 2.6920 1.6037 C.3 1 UNL1111 0.1002 4 C 0.7573 1.7266 1.6177 C.3 1 UNL1111 -0.1147 5 C -0.7590 0.9093 -0.2122 C.2 1 UNL1111 0.5500 6 C -1.6374 0.2409 0.8410 C.3 1 UNL1111 -0.1743 7 C 1.7717 1.1479 -1.7676 C.3 1 UNL1111 0.1142 8 N 0.3127 1.6608 0.2213 N.am 1 UNL1111 -0.5334 9 N 3.4418 -0.5191 -0.7335 N.ar 1 UNL1111 -0.2290 10 N 3.2947 -1.7301 -0.1303 N.ar 1 UNL1111 -0.2250 11 N -2.7354 -0.5255 0.2343 N.3 1 UNL1111 -0.5504 12 C 2.2398 -0.0962 -1.1065 C.ar 1 UNL1111 0.1459 13 C 1.2216 -3.1940 0.4100 C.3 1 UNL1111 0.1274 14 F 2.9350 2.2093 2.4231 F 1 UNL1111 -0.2057 15 O -0.9769 0.8048 -1.4045 O.2 1 UNL1111 -0.5477 16 O 2.7730 1.7176 -2.5629 O.3 1 UNL1111 -0.5059 17 C 2.0053 -2.0468 -0.1315 C.ar 1 UNL1111 0.1999 18 O 1.2829 -1.0314 -0.7532 O.2 1 UNL1111 -0.2485 19 C 0.9297 -2.9004 1.8902 C.3 1 UNL1111 -0.4556 20 C -0.0882 -3.3319 -0.3743 C.3 1 UNL1111 -0.4605 21 C 2.0624 -4.4698 0.2754 C.3 1 UNL1111 -0.4544 22 C -4.0320 0.2035 0.1465 C.3 1 UNL1111 0.2422 23 C -3.9554 1.4764 -0.7061 C.3 1 UNL1111 -0.5019 24 C -5.0042 -0.8128 -0.5263 C.3 1 UNL1111 -0.0356 25 C -4.5478 0.5253 1.5560 C.3 1 UNL1111 -0.4647 26 O -6.2597 -0.1525 -0.5649 O.3 1 UNL1111 -0.5490 27 H 0.8305 3.0507 -1.2880 H 1 UNL1111 0.1726 28 H 3.3813 2.0861 0.0293 H 1 UNL1111 0.1835 29 H 2.7882 3.7324 -0.1571 H 1 UNL1111 0.1662 30 H 1.6896 3.7133 1.9650 H 1 UNL1111 0.1433 31 H 1.0367 0.7195 2.0011 H 1 UNL1111 0.1534 32 H -0.0601 2.1152 2.2612 H 1 UNL1111 0.1503 33 H -1.0228 -0.4889 1.4251 H 1 UNL1111 0.1628 34 H -2.0177 0.9896 1.5693 H 1 UNL1111 0.1689 35 H 0.9447 0.9375 -2.5067 H 1 UNL1111 0.2148 36 H -2.4410 -0.8473 -0.6961 H 1 UNL1111 0.2789 37 H 3.6607 1.6487 -2.1383 H 1 UNL1111 0.3322 38 H 0.3339 -1.9906 2.0166 H 1 UNL1111 0.1450 39 H 0.3667 -3.7233 2.3471 H 1 UNL1111 0.1611 40 H 1.8567 -2.7772 2.4654 H 1 UNL1111 0.1615 41 H 0.0918 -3.4506 -1.4496 H 1 UNL1111 0.1593 42 H -0.6605 -4.2040 -0.0367 H 1 UNL1111 0.1596 43 H -0.7366 -2.4543 -0.2472 H 1 UNL1111 0.1645 44 H 3.0264 -4.3730 0.7953 H 1 UNL1111 0.1677 45 H 1.5419 -5.3353 0.6987 H 1 UNL1111 0.1541 46 H 2.2883 -4.6966 -0.7738 H 1 UNL1111 0.1586 47 H -3.4652 1.2896 -1.6711 H 1 UNL1111 0.1678 48 H -4.9627 1.8614 -0.9149 H 1 UNL1111 0.1699 49 H -3.3918 2.2708 -0.2096 H 1 UNL1111 0.1444 50 H -4.6944 -1.0542 -1.5566 H 1 UNL1111 0.1176 51 H -5.0926 -1.7343 0.0735 H 1 UNL1111 0.1255 52 H -4.0322 1.3772 2.0053 H 1 UNL1111 0.1367 53 H -5.6178 0.7770 1.5172 H 1 UNL1111 0.1685 54 H -4.4335 -0.3362 2.2242 H 1 UNL1111 0.1553 55 H -6.9321 -0.7367 -0.9622 H 1 UNL1111 0.3103 @BOND 1 1 2 1 2 1 7 1 3 1 8 1 4 1 27 1 5 2 3 1 6 2 28 1 7 2 29 1 8 3 4 1 9 3 14 1 10 3 30 1 11 4 8 1 12 4 31 1 13 4 32 1 14 5 6 1 15 5 8 am 16 5 15 2 17 6 11 1 18 6 33 1 19 6 34 1 20 7 12 1 21 7 16 1 22 7 35 1 23 9 10 ar 24 9 12 ar 25 10 17 ar 26 11 22 1 27 11 36 1 28 12 18 ar 29 13 17 1 30 13 19 1 31 13 20 1 32 13 21 1 33 16 37 1 34 17 18 ar 35 19 38 1 36 19 39 1 37 19 40 1 38 20 41 1 39 20 42 1 40 20 43 1 41 21 44 1 42 21 45 1 43 21 46 1 44 22 23 1 45 22 24 1 46 22 25 1 47 23 47 1 48 23 48 1 49 23 49 1 50 24 26 1 51 24 50 1 52 24 51 1 53 25 52 1 54 25 53 1 55 25 54 1 56 26 55 1