@MOLECULE 3,3'-[(propylimino)di-2,1-ethanediyl]diphenol 47 48 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.2758 3.4674 -0.9371 O.3 1 UNL1111111111 -0.4765 2 O 6.0677 1.1855 -1.4457 O.3 1 UNL1111111111 -0.4771 3 N -0.0199 -1.6692 0.0055 N.3 1 UNL1111111111 -0.4466 4 C -1.3506 -1.1367 -0.3698 C.3 1 UNL1111111111 -0.0974 5 C 1.0515 -0.6896 -0.2893 C.3 1 UNL1111111111 -0.0963 6 C 0.2495 -2.9850 -0.6211 C.3 1 UNL1111111111 -0.1095 7 C -1.8898 -0.3312 0.8349 C.3 1 UNL1111111111 -0.3028 8 C 2.1854 -0.8808 0.7435 C.3 1 UNL1111111111 -0.3091 9 C -0.4406 -4.0787 0.2185 C.3 1 UNL1111111111 -0.2584 10 C -3.1727 0.3326 0.4508 C.ar 1 UNL1111111111 0.0844 11 C 3.1755 0.2282 0.5820 C.ar 1 UNL1111111111 0.0956 12 C -0.1118 -5.4621 -0.3358 C.3 1 UNL1111111111 -0.4461 13 C -3.1540 1.6233 -0.0710 C.ar 1 UNL1111111111 -0.2822 14 C 4.1812 0.1261 -0.3816 C.ar 1 UNL1111111111 -0.3466 15 C -4.3871 -0.3489 0.5988 C.ar 1 UNL1111111111 -0.2554 16 C 3.0755 1.3749 1.3727 C.ar 1 UNL1111111111 -0.2551 17 C -4.3704 2.2075 -0.4358 C.ar 1 UNL1111111111 0.3078 18 C 5.0657 1.1946 -0.5276 C.ar 1 UNL1111111111 0.3086 19 C -5.5836 0.2570 0.2265 C.ar 1 UNL1111111111 -0.0548 20 C 3.9779 2.4268 1.2069 C.ar 1 UNL1111111111 -0.0633 21 C -5.5929 1.5484 -0.2980 C.ar 1 UNL1111111111 -0.3319 22 C 4.9856 2.3526 0.2533 C.ar 1 UNL1111111111 -0.2682 23 H -1.3247 -0.5000 -1.2793 H 1 UNL1111111111 0.1244 24 H -2.0505 -1.9703 -0.5927 H 1 UNL1111111111 0.1383 25 H 1.4522 -0.7782 -1.3202 H 1 UNL1111111111 0.1180 26 H 0.6518 0.3454 -0.1949 H 1 UNL1111111111 0.1467 27 H -0.0858 -3.0372 -1.6774 H 1 UNL1111111111 0.1140 28 H 1.3454 -3.1715 -0.6281 H 1 UNL1111111111 0.1356 29 H -1.1332 0.4071 1.1696 H 1 UNL1111111111 0.1623 30 H -2.0195 -1.0096 1.7025 H 1 UNL1111111111 0.1637 31 H 2.6601 -1.8728 0.6205 H 1 UNL1111111111 0.1526 32 H 1.7497 -0.9022 1.7645 H 1 UNL1111111111 0.1700 33 H -1.5341 -3.9185 0.2363 H 1 UNL1111111111 0.1380 34 H -0.1138 -3.9912 1.2732 H 1 UNL1111111111 0.1509 35 H -0.4468 -5.5722 -1.3731 H 1 UNL1111111111 0.1420 36 H 0.9657 -5.6604 -0.3121 H 1 UNL1111111111 0.1428 37 H -0.6003 -6.2486 0.2510 H 1 UNL1111111111 0.1442 38 H -2.2281 2.1772 -0.1975 H 1 UNL1111111111 0.1789 39 H 4.2682 -0.7598 -0.9984 H 1 UNL1111111111 0.1616 40 H -4.3931 -1.3557 1.0073 H 1 UNL1111111111 0.1580 41 H 2.2904 1.4504 2.1204 H 1 UNL1111111111 0.1598 42 H -6.5236 -0.2813 0.3452 H 1 UNL1111111111 0.1457 43 H 3.8900 3.3164 1.8307 H 1 UNL1111111111 0.1483 44 H -6.5219 2.0227 -0.5879 H 1 UNL1111111111 0.1585 45 H 5.6972 3.1587 0.1046 H 1 UNL1111111111 0.1740 46 H -5.1564 3.8418 -1.1771 H 1 UNL1111111111 0.3264 47 H 6.0870 0.3502 -1.9704 H 1 UNL1111111111 0.3265 @BOND 1 1 17 1 2 1 46 1 3 2 18 1 4 2 47 1 5 3 4 1 6 3 5 1 7 3 6 1 8 4 7 1 9 4 23 1 10 4 24 1 11 5 8 1 12 5 25 1 13 5 26 1 14 6 9 1 15 6 27 1 16 6 28 1 17 7 10 1 18 7 29 1 19 7 30 1 20 8 11 1 21 8 31 1 22 8 32 1 23 9 12 1 24 9 33 1 25 9 34 1 26 10 13 ar 27 10 15 ar 28 11 14 ar 29 11 16 ar 30 12 35 1 31 12 36 1 32 12 37 1 33 13 17 ar 34 13 38 1 35 14 18 ar 36 14 39 1 37 15 19 ar 38 15 40 1 39 16 20 ar 40 16 41 1 41 17 21 ar 42 18 22 ar 43 19 21 ar 44 19 42 1 45 20 22 ar 46 20 43 1 47 21 44 1 48 22 45 1