@MOLECULE 3-[2-(1,3-benzoxazol-2-yl)ethyl]-5-ethyl-6-(hydroxymethyl)-2(1h)-pyridinone 40 42 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O1 -3.0250 -1.0707 0.3837 O.2 1 <1> -0.2568 2 O2 1.4072 -2.3779 -0.3753 O.2 1 <1> -0.5157 3 O3 5.8923 -1.7591 0.5736 O.3 1 <1> -0.5281 4 N1 3.3647 -1.3421 -0.0293 N.ar 1 <1> -0.4784 5 N2 -2.8803 1.1842 0.1042 N.ar 1 <1> -0.4194 6 C1 -0.0346 0.0528 -0.9110 C.3 1 <1> -0.2289 7 C2 1.4368 -0.0002 -0.6765 C.ar 1 <1> -0.1846 8 C3 3.6253 1.0092 -0.3809 C.ar 1 <1> -0.1846 9 C4 -0.7668 -0.1982 0.4244 C.3 1 <1> -0.2803 10 C5 2.2353 1.1005 -0.6903 C.ar 1 <1> -0.0428 11 C6 4.1488 -0.2119 -0.0281 C.ar 1 <1> 0.1493 12 C7 4.4483 2.2566 -0.4052 C.3 1 <1> -0.2365 13 C8 1.9896 -1.3113 -0.3785 C.ar 1 <1> 0.5638 14 C9 -2.2068 0.0742 0.2887 C.ar 1 <1> 0.3318 15 C10 5.5832 -0.3904 0.4095 C.3 1 <1> -0.0277 16 C11 4.4146 2.9486 0.9614 C.3 1 <1> -0.4309 17 C12 -4.3093 -0.5946 0.2409 C.ar 1 <1> 0.0955 18 C13 -4.2432 0.8186 0.0646 C.ar 1 <1> 0.0471 19 C14 -5.4928 -1.3067 0.2475 C.ar 1 <1> -0.1822 20 C15 -5.4106 1.5516 -0.1043 C.ar 1 <1> -0.1165 21 C16 -6.6517 -0.5503 0.0709 C.ar 1 <1> -0.1241 22 C17 -6.6103 0.8421 -0.0979 C.ar 1 <1> -0.1735 23 H1 -0.3379 -0.7173 -1.6559 H 1 <1> 0.1719 24 H2 -0.3460 1.0290 -1.3393 H 1 <1> 0.1620 25 H3 -0.5884 -1.2541 0.7490 H 1 <1> 0.1986 26 H4 -0.3326 0.4464 1.2236 H 1 <1> 0.1802 27 H5 1.8238 2.0851 -0.9223 H 1 <1> 0.1635 28 H6 5.4955 2.0496 -0.7021 H 1 <1> 0.1355 29 H7 4.0722 2.9523 -1.1855 H 1 <1> 0.1483 30 H8 3.7728 -2.2320 0.2650 H 1 <1> 0.3365 31 H9 5.7367 0.0289 1.4302 H 1 <1> 0.1707 32 H10 6.2951 0.0885 -0.2910 H 1 <1> 0.1411 33 H11 5.0021 3.8742 0.9527 H 1 <1> 0.1420 34 H12 4.8151 2.3063 1.7502 H 1 <1> 0.1426 35 H13 3.3881 3.2117 1.2455 H 1 <1> 0.1517 36 H14 -5.5180 -2.3837 0.3800 H 1 <1> 0.1750 37 H15 -5.3792 2.6302 -0.2358 H 1 <1> 0.1708 38 H16 -7.6185 -1.0544 0.0642 H 1 <1> 0.1565 39 H17 -7.5467 1.3835 -0.2287 H 1 <1> 0.1569 40 H18 6.1536 -2.1634 -0.2813 H 1 <1> 0.3197 @BOND 1 23 6 1 2 24 6 1 3 29 12 1 4 27 10 1 5 6 7 1 6 6 9 1 7 28 12 1 8 10 7 ar 9 10 8 ar 10 7 13 ar 11 12 8 1 12 12 16 1 13 8 11 ar 14 13 2 2 15 13 4 ar 16 32 15 1 17 40 3 1 18 37 20 1 19 39 22 1 20 20 22 ar 21 20 18 ar 22 22 21 ar 23 4 11 ar 24 4 30 1 25 11 15 1 26 38 21 1 27 18 5 ar 28 18 17 ar 29 21 19 ar 30 5 14 ar 31 17 19 ar 32 17 1 ar 33 19 36 1 34 14 1 ar 35 14 9 1 36 15 3 1 37 15 31 1 38 9 25 1 39 9 26 1 40 33 16 1 41 16 35 1 42 16 34 1