@MOLECULE 6-[(r)-hydroxy(phenyl)methyl]-3-isopropyl-5-methoxy-2(1h)-pyrazinone 38 39 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.6760 -1.7234 -1.9375 O.3 1 UNL1 -0.5622 2 O 0.0783 1.9619 -1.0930 O.2 1 UNL1 -0.3130 3 O -2.2803 -2.5850 0.4200 O.2 1 UNL1 -0.5000 4 N -0.5044 -1.5306 -0.4698 N.am 1 UNL1 -0.4209 5 N -1.8052 0.9156 -0.1133 N.2 1 UNL1 -0.3578 6 C -3.7690 -0.1481 0.8978 C.3 1 UNL1 -0.0576 7 C 1.5221 -0.4170 -1.4060 C.3 1 UNL1 0.1581 8 C -2.3972 -0.1830 0.2724 C.3 1 UNL1 0.0865 9 C 0.1211 -0.3596 -0.8552 C.3 1 UNL1 0.0168 10 C -1.7809 -1.5235 0.1066 C.2 1 UNL1 0.4787 11 C -0.5541 0.8314 -0.6804 C.2 1 UNL1 0.2053 12 C 2.5058 -0.1604 -0.2933 C.ar 1 UNL1 -0.0853 13 C -3.8226 0.8980 2.0149 C.3 1 UNL1 -0.4422 14 C -4.8050 0.1538 -0.1915 C.3 1 UNL1 -0.4429 15 C 2.8755 1.1510 0.0046 C.ar 1 UNL1 -0.1394 16 C 3.0186 -1.2216 0.4513 C.ar 1 UNL1 -0.1376 17 C 3.7679 1.3990 1.0448 C.ar 1 UNL1 -0.1468 18 C 3.9159 -0.9706 1.4872 C.ar 1 UNL1 -0.1460 19 C 4.2921 0.3387 1.7832 C.ar 1 UNL1 -0.1385 20 C -0.6323 3.1821 -0.8837 C.3 1 UNL1 -0.1712 21 H -3.9928 -1.1593 1.3379 H 1 UNL1 0.1708 22 H 1.6420 0.3061 -2.2536 H 1 UNL1 0.1584 23 H -0.0269 -2.4175 -0.6400 H 1 UNL1 0.3466 24 H -3.5998 1.9023 1.6310 H 1 UNL1 0.1582 25 H -3.0906 0.6797 2.8013 H 1 UNL1 0.1478 26 H -4.8137 0.9306 2.4788 H 1 UNL1 0.1448 27 H -5.8180 0.1719 0.2244 H 1 UNL1 0.1476 28 H -4.7853 -0.6053 -0.9826 H 1 UNL1 0.1508 29 H -4.6191 1.1284 -0.6594 H 1 UNL1 0.1540 30 H 2.4542 1.9820 -0.5622 H 1 UNL1 0.1634 31 H 2.7080 -2.2435 0.2323 H 1 UNL1 0.1623 32 H 2.6096 -1.8802 -2.1914 H 1 UNL1 0.3353 33 H 4.0529 2.4223 1.2813 H 1 UNL1 0.1501 34 H 4.3180 -1.7971 2.0700 H 1 UNL1 0.1517 35 H 4.9914 0.5341 2.5938 H 1 UNL1 0.1488 36 H -0.8003 3.3506 0.1852 H 1 UNL1 0.1424 37 H -1.5856 3.1738 -1.4222 H 1 UNL1 0.1429 38 H 0.0603 3.9195 -1.3050 H 1 UNL1 0.1401 @BOND 1 22 7 1 2 32 1 1 3 1 7 1 4 37 20 1 5 7 9 1 6 7 12 1 7 38 20 1 8 2 20 1 9 2 11 1 10 28 14 1 11 20 36 1 12 9 11 1 13 9 4 1 14 11 5 2 15 29 14 1 16 23 4 1 17 30 15 1 18 4 10 am 19 12 15 ar 20 12 16 ar 21 14 27 1 22 14 6 1 23 5 8 1 24 15 17 ar 25 10 8 1 26 10 3 2 27 31 16 1 28 8 6 1 29 16 18 ar 30 6 21 1 31 6 13 1 32 17 33 1 33 17 19 ar 34 18 19 ar 35 18 34 1 36 24 13 1 37 19 35 1 38 13 26 1 39 13 25 1