@MOLECULE 8-[3-(tert-butylamino)-2-hydroxypropoxy]-6,7-dimethoxy-2h-chromen-2-one 50 51 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.4165 -0.4419 -0.1565 O.3 1 UNL1 -0.3205 2 O 1.2466 -2.1714 -2.1174 O.3 1 UNL1 -0.5716 3 O -0.5688 2.1278 -0.3048 O.2 1 UNL1 -0.3280 4 O -1.2888 -2.5215 -0.0600 O.3 1 UNL1 -0.3281 5 O -3.9674 -2.0438 0.8174 O.3 1 UNL1 -0.3221 6 O -0.1355 4.2437 -0.5588 O.2 1 UNL1 -0.4166 7 N 3.9903 -0.3328 -0.5726 N.3 1 UNL1 -0.5892 8 C 4.3339 0.1152 0.7996 C.3 1 UNL1 0.2923 9 C 2.9970 -1.4187 -0.6615 C.3 1 UNL1 -0.1541 10 C 1.9935 -1.0271 -1.7761 C.3 1 UNL1 0.1441 11 C 4.8117 -1.0451 1.7028 C.3 1 UNL1 -0.5128 12 C 3.1140 0.8035 1.4327 C.3 1 UNL1 -0.4703 13 C 5.4789 1.1420 0.6555 C.3 1 UNL1 -0.4791 14 C 1.0603 0.1049 -1.3227 C.3 1 UNL1 -0.0956 15 C -0.9068 -0.1751 -0.0568 C.ar 1 UNL1 0.1027 16 C -1.4389 1.1323 -0.0238 C.ar 1 UNL1 0.1685 17 C -1.7626 -1.2557 0.1488 C.ar 1 UNL1 0.0997 18 C -2.7882 1.3514 0.2740 C.ar 1 UNL1 -0.1395 19 C -3.1212 -1.0330 0.4581 C.ar 1 UNL1 0.1395 20 C -3.6309 0.2550 0.5201 C.ar 1 UNL1 -0.1767 21 C -3.2508 2.7176 0.3145 C.ar 1 UNL1 0.0069 22 C -2.3933 3.7219 0.0495 C.ar 1 UNL1 -0.3352 23 C -1.0033 3.4616 -0.2842 C.ar 1 UNL1 0.5867 24 C -0.7840 -3.1146 1.1382 C.3 1 UNL1 -0.1958 25 C -4.1502 -3.0398 -0.1878 C.3 1 UNL1 -0.1953 26 H 4.8263 -0.5640 -1.1035 H 1 UNL1 0.2609 27 H 2.4545 -1.5680 0.2946 H 1 UNL1 0.1491 28 H 3.4544 -2.3979 -0.9144 H 1 UNL1 0.1301 29 H 2.5167 -0.7603 -2.7209 H 1 UNL1 0.1506 30 H 5.6400 -1.5936 1.2467 H 1 UNL1 0.1441 31 H 4.0066 -1.7581 1.9007 H 1 UNL1 0.1478 32 H 5.1575 -0.6693 2.6706 H 1 UNL1 0.1516 33 H 3.3365 1.1566 2.4424 H 1 UNL1 0.1420 34 H 2.8026 1.6696 0.8331 H 1 UNL1 0.1639 35 H 2.2465 0.1358 1.4922 H 1 UNL1 0.1565 36 H 6.4019 0.6795 0.2957 H 1 UNL1 0.1397 37 H 5.6977 1.6204 1.6146 H 1 UNL1 0.1485 38 H 5.2008 1.9322 -0.0543 H 1 UNL1 0.1636 39 H 1.6191 0.9978 -0.9793 H 1 UNL1 0.1742 40 H 0.3374 0.3848 -2.1018 H 1 UNL1 0.1406 41 H 0.5317 -2.3271 -1.4584 H 1 UNL1 0.3385 42 H -4.6822 0.4080 0.7601 H 1 UNL1 0.1784 43 H -4.2989 2.8975 0.5643 H 1 UNL1 0.1631 44 H -2.6811 4.7738 0.0658 H 1 UNL1 0.1895 45 H 0.0494 -2.5242 1.5329 H 1 UNL1 0.1407 46 H -1.5856 -3.2141 1.8767 H 1 UNL1 0.1402 47 H -0.4405 -4.0972 0.7929 H 1 UNL1 0.1500 48 H -4.9139 -3.6854 0.2625 H 1 UNL1 0.1442 49 H -3.2245 -3.5985 -0.3650 H 1 UNL1 0.1504 50 H -4.5180 -2.5896 -1.1142 H 1 UNL1 0.1320 @BOND 1 29 10 1 2 2 10 1 3 2 41 1 4 40 14 1 5 10 14 1 6 10 9 1 7 14 39 1 8 14 1 1 9 50 25 1 10 26 7 1 11 28 9 1 12 9 7 1 13 9 27 1 14 7 8 1 15 6 23 2 16 49 25 1 17 3 23 ar 18 3 16 ar 19 23 22 ar 20 25 48 1 21 25 5 1 22 1 15 1 23 4 17 1 24 4 24 1 25 15 16 ar 26 15 17 ar 27 38 13 1 28 16 18 ar 29 22 44 1 30 22 21 ar 31 17 19 ar 32 18 21 ar 33 18 20 ar 34 36 13 1 35 21 43 1 36 19 20 ar 37 19 5 1 38 20 42 1 39 13 8 1 40 13 37 1 41 47 24 1 42 8 12 1 43 8 11 1 44 34 12 1 45 24 45 1 46 24 46 1 47 30 11 1 48 12 35 1 49 12 33 1 50 11 31 1 51 11 32 1