@MOLECULE 1-(6-amino-3-pyridinyl)-2-[(5-phenyl-2-pentanyl)amino]ethanol 47 48 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.0476 1.9658 -0.2046 O.3 1 UNL1111111111 -0.5639 2 N -2.7563 -1.3822 0.5858 N.3 1 UNL1111111111 -0.5671 3 N -0.1525 2.5838 -0.9257 N.ar 1 UNL1111111111 -0.4886 4 N 1.9774 2.9569 -0.0608 N.pl3 1 UNL1111111111 -0.6066 5 C -2.4094 -2.5848 -0.2153 C.3 1 UNL1111111111 0.0854 6 C -1.2086 -2.2859 -1.1453 C.3 1 UNL1111111111 -0.2806 7 C 0.0096 -1.7461 -0.3914 C.3 1 UNL1111111111 -0.2515 8 C -3.4603 -0.3524 -0.1994 C.3 1 UNL1111111111 -0.1650 9 C 1.2067 -1.5917 -1.3401 C.3 1 UNL1111111111 -0.3001 10 C -2.0844 -3.7344 0.7532 C.3 1 UNL1111111111 -0.4727 11 C -3.2621 1.0169 0.5067 C.3 1 UNL1111111111 0.1728 12 C 2.4157 -1.0872 -0.6145 C.ar 1 UNL1111111111 0.0353 13 C -1.8508 1.4938 0.3909 C.ar 1 UNL1111111111 -0.2018 14 C 3.0521 0.0791 -1.0450 C.ar 1 UNL1111111111 -0.1873 15 C 2.9289 -1.7841 0.4837 C.ar 1 UNL1111111111 -0.1746 16 C -0.9351 1.2588 1.4188 C.ar 1 UNL1111111111 -0.0101 17 C -1.4144 2.1549 -0.7671 C.ar 1 UNL1111111111 0.1381 18 C 4.1839 0.5479 -0.3810 C.ar 1 UNL1111111111 -0.1581 19 C 4.0521 -1.3065 1.1532 C.ar 1 UNL1111111111 -0.1348 20 C 0.3732 1.6999 1.2879 C.ar 1 UNL1111111111 -0.3539 21 C 4.6815 -0.1388 0.7233 C.ar 1 UNL1111111111 -0.1688 22 C 0.7239 2.3831 0.1016 C.ar 1 UNL1111111111 0.3987 23 H -3.2720 -2.8980 -0.8629 H 1 UNL1111111111 0.1024 24 H -0.9425 -3.2119 -1.6885 H 1 UNL1111111111 0.1336 25 H -1.5137 -1.5547 -1.9185 H 1 UNL1111111111 0.1386 26 H 0.2658 -2.4092 0.4538 H 1 UNL1111111111 0.1389 27 H -0.2432 -0.7684 0.0714 H 1 UNL1111111111 0.1684 28 H -3.2881 -1.6358 1.4150 H 1 UNL1111111111 0.2556 29 H -3.0285 -0.2842 -1.2220 H 1 UNL1111111111 0.1595 30 H -4.5417 -0.5586 -0.3272 H 1 UNL1111111111 0.1131 31 H 1.4407 -2.5645 -1.8213 H 1 UNL1111111111 0.1512 32 H 0.9290 -0.9121 -2.1721 H 1 UNL1111111111 0.1526 33 H -1.3678 -3.4127 1.5212 H 1 UNL1111111111 0.1640 34 H -2.9793 -4.0992 1.2652 H 1 UNL1111111111 0.1375 35 H -1.6366 -4.5810 0.2226 H 1 UNL1111111111 0.1512 36 H -3.6029 0.9827 1.5649 H 1 UNL1111111111 0.1192 37 H 2.6615 0.6229 -1.9040 H 1 UNL1111111111 0.1564 38 H 2.4487 -2.7029 0.8155 H 1 UNL1111111111 0.1538 39 H -1.2456 0.7201 2.3149 H 1 UNL1111111111 0.1563 40 H -4.9875 1.8940 0.0377 H 1 UNL1111111111 0.3138 41 H -2.0964 2.3531 -1.6054 H 1 UNL1111111111 0.1811 42 H 4.6883 1.4438 -0.7351 H 1 UNL1111111111 0.1438 43 H 4.4437 -1.8494 2.0110 H 1 UNL1111111111 0.1455 44 H 1.1056 1.5333 2.0672 H 1 UNL1111111111 0.1712 45 H 5.5619 0.2285 1.2451 H 1 UNL1111111111 0.1470 46 H 2.7459 2.5668 0.4486 H 1 UNL1111111111 0.2972 47 H 2.2027 3.3341 -0.9638 H 1 UNL1111111111 0.3033 @BOND 1 1 11 1 2 1 40 1 3 2 5 1 4 2 8 1 5 2 28 1 6 3 17 ar 7 3 22 ar 8 4 22 1 9 4 46 1 10 4 47 1 11 5 6 1 12 5 10 1 13 5 23 1 14 6 7 1 15 6 24 1 16 6 25 1 17 7 9 1 18 7 26 1 19 7 27 1 20 8 11 1 21 8 29 1 22 8 30 1 23 9 12 1 24 9 31 1 25 9 32 1 26 10 33 1 27 10 34 1 28 10 35 1 29 11 13 1 30 11 36 1 31 12 14 ar 32 12 15 ar 33 13 16 ar 34 13 17 ar 35 14 18 ar 36 14 37 1 37 15 19 ar 38 15 38 1 39 16 20 ar 40 16 39 1 41 17 41 1 42 18 21 ar 43 18 42 1 44 19 21 ar 45 19 43 1 46 20 22 ar 47 20 44 1 48 21 45 1