@MOLECULE 1-(isopropylamino)-4,4-diphenyl-2-butanol 46 47 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.7192 -0.7941 1.4960 O.3 1 UNL1111111111 -0.5723 2 N 3.8958 0.0716 -0.0574 N.3 1 UNL1111111111 -0.5851 3 C -1.0108 -0.2488 0.4830 C.3 1 UNL1111111111 -0.1359 4 C 0.1998 -0.8038 -0.2906 C.3 1 UNL1111111111 -0.3066 5 C 1.4968 -0.1819 0.2399 C.3 1 UNL1111111111 0.1591 6 C 2.6874 -0.4803 -0.7061 C.3 1 UNL1111111111 -0.1815 7 C -1.2591 1.2224 0.2701 C.ar 1 UNL1111111111 0.0175 8 C -2.2391 -1.0360 0.1020 C.ar 1 UNL1111111111 0.0076 9 C 5.1548 -0.5495 -0.5455 C.3 1 UNL1111111111 0.1031 10 C -1.8764 1.9452 1.2963 C.ar 1 UNL1111111111 -0.1709 11 C -2.7155 -2.0215 0.9696 C.ar 1 UNL1111111111 -0.1723 12 C -0.9139 1.8755 -0.9143 C.ar 1 UNL1111111111 -0.1825 13 C -2.8972 -0.8039 -1.1074 C.ar 1 UNL1111111111 -0.1695 14 C 5.4481 -1.7791 0.3306 C.3 1 UNL1111111111 -0.4587 15 C 6.3030 0.4661 -0.4335 C.3 1 UNL1111111111 -0.4802 16 C -2.1479 3.3009 1.1393 C.ar 1 UNL1111111111 -0.1308 17 C -3.8425 -2.7673 0.6319 C.ar 1 UNL1111111111 -0.1383 18 C -1.1830 3.2342 -1.0688 C.ar 1 UNL1111111111 -0.1352 19 C -4.0247 -1.5495 -1.4424 C.ar 1 UNL1111111111 -0.1396 20 C -1.8000 3.9492 -0.0452 C.ar 1 UNL1111111111 -0.1673 21 C -4.4993 -2.5315 -0.5745 C.ar 1 UNL1111111111 -0.1623 22 H -0.7857 -0.4099 1.5780 H 1 UNL1111111111 0.1796 23 H 0.2418 -1.9054 -0.1493 H 1 UNL1111111111 0.1674 24 H 0.0893 -0.6394 -1.3752 H 1 UNL1111111111 0.1438 25 H 1.3929 0.9122 0.4226 H 1 UNL1111111111 0.1271 26 H 2.7951 -1.5809 -0.8183 H 1 UNL1111111111 0.1536 27 H 2.5002 -0.0643 -1.7150 H 1 UNL1111111111 0.1191 28 H 3.9205 1.0857 -0.1332 H 1 UNL1111111111 0.2628 29 H 5.0607 -0.8744 -1.6139 H 1 UNL1111111111 0.1106 30 H -2.1522 1.4432 2.2222 H 1 UNL1111111111 0.1549 31 H -2.2044 -2.2114 1.9117 H 1 UNL1111111111 0.1555 32 H -0.4348 1.3307 -1.7243 H 1 UNL1111111111 0.1498 33 H -2.5353 -0.0328 -1.7852 H 1 UNL1111111111 0.1557 34 H 2.6734 -0.7103 1.7303 H 1 UNL1111111111 0.3423 35 H 6.3764 -2.2707 0.0282 H 1 UNL1111111111 0.1416 36 H 5.5399 -1.4938 1.3858 H 1 UNL1111111111 0.1581 37 H 4.6370 -2.5133 0.2706 H 1 UNL1111111111 0.1496 38 H 6.1565 1.3230 -1.0981 H 1 UNL1111111111 0.1428 39 H 7.2607 0.0045 -0.6974 H 1 UNL1111111111 0.1533 40 H 6.3971 0.8470 0.5915 H 1 UNL1111111111 0.1606 41 H -2.6318 3.8548 1.9412 H 1 UNL1111111111 0.1469 42 H -4.2102 -3.5333 1.3112 H 1 UNL1111111111 0.1461 43 H -0.9122 3.7366 -1.9948 H 1 UNL1111111111 0.1435 44 H -4.5374 -1.3630 -2.3837 H 1 UNL1111111111 0.1462 45 H -2.0114 5.0084 -0.1696 H 1 UNL1111111111 0.1450 46 H -5.3804 -3.1112 -0.8377 H 1 UNL1111111111 0.1458 @BOND 1 1 5 1 2 1 34 1 3 2 6 1 4 2 9 1 5 2 28 1 6 3 4 1 7 3 7 1 8 3 8 1 9 3 22 1 10 4 5 1 11 4 23 1 12 4 24 1 13 5 6 1 14 5 25 1 15 6 26 1 16 6 27 1 17 7 10 ar 18 7 12 ar 19 8 11 ar 20 8 13 ar 21 9 14 1 22 9 15 1 23 9 29 1 24 10 16 ar 25 10 30 1 26 11 17 ar 27 11 31 1 28 12 18 ar 29 12 32 1 30 13 19 ar 31 13 33 1 32 14 35 1 33 14 36 1 34 14 37 1 35 15 38 1 36 15 39 1 37 15 40 1 38 16 20 ar 39 16 41 1 40 17 21 ar 41 17 42 1 42 18 20 ar 43 18 43 1 44 19 21 ar 45 19 44 1 46 20 45 1 47 21 46 1