@MOLECULE (s)-5-(7-(4-(4-ethyl-4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole 57 59 0 0 0 SMALL USER_CHARGES @ATOM 1 O -7.1052 -1.5715 0.1565 O.2 1 UNL11111111 -0.3975 2 O -1.2532 0.7441 -0.3092 O.3 1 UNL11111111 -0.3420 3 O 8.9626 -0.7730 1.1742 O.2 1 UNL11111111 0.0153 4 N -7.6345 0.5878 0.5827 N.2 1 UNL11111111 -0.4946 5 N 10.1376 -0.0817 1.3699 N.ar 1 UNL11111111 -0.2654 6 C 3.5468 0.1817 -0.4362 C.3 1 UNL11111111 -0.2668 7 C 4.7079 -0.8108 -0.5803 C.3 1 UNL11111111 -0.2699 8 C 2.2031 -0.5350 -0.6257 C.3 1 UNL11111111 -0.2702 9 C 6.0435 -0.1225 -0.2777 C.3 1 UNL11111111 -0.2575 10 C 1.0425 0.4489 -0.4574 C.3 1 UNL11111111 -0.2963 11 C -8.9269 -0.1205 0.6437 C.3 1 UNL11111111 0.0255 12 C 7.2120 -1.1080 -0.4453 C.3 1 UNL11111111 -0.2921 13 C -0.2926 -0.2941 -0.5374 C.3 1 UNL11111111 -0.0425 14 C -8.5278 -1.6055 0.3624 C.3 1 UNL11111111 -0.0980 15 C -9.9072 0.4258 -0.4051 C.3 1 UNL11111111 -0.2651 16 C -6.6923 -0.2549 0.3078 C.2 1 UNL11111111 0.3977 17 C 8.4781 -0.4541 -0.0817 C.ar 1 UNL11111111 0.0988 18 C -5.2670 -0.0420 0.1370 C.ar 1 UNL11111111 -0.1592 19 C -10.3936 1.8202 -0.0147 C.3 1 UNL11111111 -0.4318 20 C -2.5510 0.3873 -0.1806 C.ar 1 UNL11111111 0.2983 21 C 9.3291 0.4321 -0.6871 C.ar 1 UNL11111111 -0.3506 22 C -4.7463 1.2564 0.2638 C.ar 1 UNL11111111 -0.0196 23 C -4.4207 -1.1150 -0.1530 C.ar 1 UNL11111111 -0.0169 24 C -3.3900 1.4801 0.1064 C.ar 1 UNL11111111 -0.2748 25 C -3.0537 -0.9092 -0.3152 C.ar 1 UNL11111111 -0.3292 26 C 10.3865 0.6470 0.2836 C.ar 1 UNL11111111 0.1425 27 C 11.5616 1.5232 0.1248 C.3 1 UNL11111111 -0.4349 28 H 3.5807 0.6644 0.5594 H 1 UNL11111111 0.1426 29 H 3.6503 1.0001 -1.1732 H 1 UNL11111111 0.1397 30 H 4.5599 -1.6679 0.1039 H 1 UNL11111111 0.1400 31 H 4.7180 -1.2346 -1.6019 H 1 UNL11111111 0.1376 32 H 2.1134 -1.3612 0.1058 H 1 UNL11111111 0.1395 33 H 2.1635 -1.0064 -1.6258 H 1 UNL11111111 0.1381 34 H 6.1861 0.7496 -0.9443 H 1 UNL11111111 0.1459 35 H 6.0377 0.2835 0.7529 H 1 UNL11111111 0.1495 36 H 1.0832 1.2415 -1.2297 H 1 UNL11111111 0.1554 37 H 1.1159 0.9806 0.5125 H 1 UNL11111111 0.1582 38 H -9.3496 0.0045 1.6691 H 1 UNL11111111 0.1534 39 H 7.0358 -2.0138 0.1792 H 1 UNL11111111 0.1690 40 H 7.2543 -1.4766 -1.4942 H 1 UNL11111111 0.1689 41 H -0.3858 -1.0652 0.2466 H 1 UNL11111111 0.1306 42 H -0.4734 -0.7334 -1.5330 H 1 UNL11111111 0.1299 43 H -8.6962 -2.2762 1.2146 H 1 UNL11111111 0.1411 44 H -8.9568 -2.0213 -0.5581 H 1 UNL11111111 0.1437 45 H -9.4144 0.4660 -1.3970 H 1 UNL11111111 0.1506 46 H -10.7657 -0.2629 -0.5097 H 1 UNL11111111 0.1332 47 H -10.9759 1.8043 0.9121 H 1 UNL11111111 0.1389 48 H -9.5399 2.4958 0.1478 H 1 UNL11111111 0.1667 49 H -11.0192 2.2598 -0.7977 H 1 UNL11111111 0.1383 50 H 9.2674 0.8848 -1.6496 H 1 UNL11111111 0.1824 51 H -5.4251 2.0859 0.4897 H 1 UNL11111111 0.1777 52 H -4.8336 -2.1224 -0.2537 H 1 UNL11111111 0.1669 53 H -2.9637 2.4756 0.2002 H 1 UNL11111111 0.1772 54 H -2.4073 -1.7485 -0.5437 H 1 UNL11111111 0.1663 55 H 12.1766 1.2164 -0.7365 H 1 UNL11111111 0.1695 56 H 11.2610 2.5704 -0.0403 H 1 UNL11111111 0.1694 57 H 12.2151 1.5078 1.0140 H 1 UNL11111111 0.1768 @BOND 1 50 21 1 2 33 8 1 3 31 7 1 4 42 13 1 5 40 12 1 6 45 15 1 7 36 10 1 8 29 6 1 9 34 9 1 10 49 19 1 11 55 27 1 12 21 17 ar 13 21 26 ar 14 8 10 1 15 8 6 1 16 8 32 1 17 7 6 1 18 7 9 1 19 7 30 1 20 44 14 1 21 54 25 1 22 13 10 1 23 13 2 1 24 13 41 1 25 46 15 1 26 10 37 1 27 12 9 1 28 12 17 1 29 12 39 1 30 6 28 1 31 15 19 1 32 15 11 1 33 25 20 ar 34 25 23 ar 35 2 20 1 36 9 35 1 37 52 23 1 38 20 24 ar 39 23 18 ar 40 17 3 ar 41 56 27 1 42 19 48 1 43 19 47 1 44 24 53 1 45 24 22 ar 46 27 26 1 47 27 57 1 48 18 22 ar 49 18 16 1 50 1 16 1 51 1 14 1 52 22 51 1 53 26 5 ar 54 16 4 2 55 14 11 1 56 14 43 1 57 4 11 1 58 11 38 1 59 3 5 ar