@MOLECULE 7-{3-[4-(2-pyrimidinyl)-1-piperazinyl]propoxy}-2h-chromen-2-one 49 52 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.1608 -1.0007 0.3790 O.3 1 UNL1 -0.3249 2 O 6.2776 1.3082 -0.1434 O.2 1 UNL1 -0.3732 3 O 8.1261 2.4383 -0.3719 O.2 1 UNL1 -0.4098 4 N -2.3570 0.5348 0.4124 N.3 1 UNL1 -0.4137 5 N -5.1712 0.1955 0.0682 N.pl3 1 UNL1 -0.3818 6 N -7.3353 1.1399 -0.0085 N.ar 1 UNL1 -0.5288 7 N -6.9977 -1.2468 -0.3155 N.ar 1 UNL1 -0.5289 8 C -2.8966 -0.6840 -0.2387 C.3 1 UNL1 -0.1310 9 C -3.2227 1.6973 0.0848 C.3 1 UNL1 -0.1314 10 C -4.3095 -0.9725 0.3189 C.3 1 UNL1 -0.0816 11 C -4.6461 1.4500 0.6340 C.3 1 UNL1 -0.0820 12 C -0.9638 0.8093 -0.0194 C.3 1 UNL1 -0.1162 13 C -0.0155 -0.2286 0.6041 C.3 1 UNL1 -0.3072 14 C -6.5258 0.0240 -0.0611 C.ar 1 UNL1 0.5037 15 C 1.4301 0.2351 0.4450 C.3 1 UNL1 -0.0449 16 C 3.4940 -0.9178 0.2192 C.ar 1 UNL1 0.3433 17 C -8.6412 0.9640 -0.2532 C.ar 1 UNL1 0.1714 18 C -8.3093 -1.3800 -0.5537 C.ar 1 UNL1 0.1714 19 C 4.2200 0.2619 0.1117 C.ar 1 UNL1 -0.4200 20 C -9.1917 -0.2921 -0.5376 C.ar 1 UNL1 -0.4282 21 C 4.1157 -2.1923 0.1693 C.ar 1 UNL1 -0.3151 22 C 5.6083 0.1449 -0.0463 C.ar 1 UNL1 0.3710 23 C 6.2583 -1.1001 -0.0962 C.ar 1 UNL1 -0.2822 24 C 5.4812 -2.2701 0.0142 C.ar 1 UNL1 0.0032 25 C 7.6826 -1.1132 -0.2549 C.ar 1 UNL1 0.0391 26 C 8.3612 0.0499 -0.3527 C.ar 1 UNL1 -0.3766 27 C 7.6820 1.3277 -0.3003 C.ar 1 UNL1 0.6022 28 H -2.2364 -1.5443 0.0063 H 1 UNL1 0.1454 29 H -2.9369 -0.6013 -1.3459 H 1 UNL1 0.1312 30 H -3.2707 1.9043 -1.0059 H 1 UNL1 0.1306 31 H -2.8047 2.6008 0.5806 H 1 UNL1 0.1438 32 H -4.2559 -1.1867 1.4107 H 1 UNL1 0.1481 33 H -4.7317 -1.8781 -0.1791 H 1 UNL1 0.1773 34 H -4.6242 1.3926 1.7466 H 1 UNL1 0.1481 35 H -5.3085 2.3051 0.3575 H 1 UNL1 0.1771 36 H -0.8477 0.8213 -1.1245 H 1 UNL1 0.1201 37 H -0.6861 1.8244 0.3479 H 1 UNL1 0.1404 38 H -0.2695 -0.3853 1.6720 H 1 UNL1 0.1707 39 H -0.1450 -1.2210 0.1268 H 1 UNL1 0.1627 40 H 1.5993 0.7966 -0.4913 H 1 UNL1 0.1354 41 H 1.7873 0.8190 1.3106 H 1 UNL1 0.1384 42 H -8.6508 -2.4044 -0.7562 H 1 UNL1 0.1721 43 H -9.2561 1.8731 -0.2078 H 1 UNL1 0.1722 44 H 3.7696 1.2484 0.1467 H 1 UNL1 0.1943 45 H 3.4983 -3.0808 0.2559 H 1 UNL1 0.1794 46 H -10.2472 -0.4171 -0.7292 H 1 UNL1 0.1805 47 H 5.9754 -3.2433 -0.0245 H 1 UNL1 0.1547 48 H 8.1907 -2.0804 -0.2933 H 1 UNL1 0.1572 49 H 9.4421 0.0980 -0.4739 H 1 UNL1 0.1924 @BOND 1 29 8 1 2 36 12 1 3 30 9 1 4 42 18 1 5 46 20 1 6 18 20 ar 7 18 7 ar 8 20 17 ar 9 40 15 1 10 49 26 1 11 3 27 2 12 26 27 ar 13 26 25 ar 14 7 14 ar 15 27 2 ar 16 48 25 1 17 25 23 ar 18 17 43 1 19 17 6 ar 20 8 28 1 21 8 10 1 22 8 4 1 23 33 10 1 24 2 22 ar 25 23 22 ar 26 23 24 ar 27 14 6 ar 28 14 5 1 29 22 19 ar 30 47 24 1 31 12 37 1 32 12 4 1 33 12 13 1 34 24 21 ar 35 5 10 1 36 5 11 1 37 9 4 1 38 9 31 1 39 9 11 1 40 19 44 1 41 19 16 ar 42 39 13 1 43 21 16 ar 44 21 45 1 45 16 1 1 46 10 32 1 47 35 11 1 48 1 15 1 49 15 13 1 50 15 41 1 51 13 38 1 52 11 34 1