@MOLECULE 3-(p-(2-chloroethyl)-a-propylbenzyl)-4-hydroxycoumarin 46 48 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -6.6463 -1.6638 0.0864 Cl 1 UNL1 -0.1840 2 O 3.1572 -0.7715 -1.6286 O.2 1 UNL1 -0.3750 3 O 0.8934 -0.0384 1.7440 O.3 1 UNL1 -0.4262 4 O 2.3923 1.0143 -2.5961 O.2 1 UNL1 -0.4080 5 C 0.7408 1.8619 -0.3529 C.3 1 UNL1 -0.0683 6 C 1.1896 2.8100 0.7775 C.3 1 UNL1 -0.2750 7 C 1.5688 0.6100 -0.3778 C.ar 1 UNL1 -0.3224 8 C -0.7167 1.4807 -0.2537 C.ar 1 UNL1 -0.0032 9 C 2.5670 3.4128 0.4725 C.3 1 UNL1 -0.2433 10 C 1.6243 -0.2916 0.6421 C.ar 1 UNL1 0.3732 11 C -1.3790 1.3820 0.9703 C.ar 1 UNL1 -0.1413 12 C -1.4115 1.1988 -1.4342 C.ar 1 UNL1 -0.1544 13 C 2.3309 0.3765 -1.5826 C.ar 1 UNL1 0.6050 14 C 2.4428 -1.4800 0.5600 C.ar 1 UNL1 -0.2749 15 C 3.0304 4.3078 1.6217 C.3 1 UNL1 -0.4405 16 C -3.4121 0.7388 -0.1649 C.ar 1 UNL1 -0.0101 17 C -2.7214 1.0148 1.0152 C.ar 1 UNL1 -0.1754 18 C -2.7517 0.8297 -1.3914 C.ar 1 UNL1 -0.1662 19 C 3.1911 -1.6485 -0.6131 C.ar 1 UNL1 0.3199 20 C -4.8539 0.3306 -0.1151 C.3 1 UNL1 -0.3072 21 C 2.5427 -2.4605 1.5612 C.ar 1 UNL1 -0.0586 22 C 4.0347 -2.7592 -0.8034 C.ar 1 UNL1 -0.2393 23 C 3.3663 -3.5573 1.3845 C.ar 1 UNL1 -0.2139 24 C -4.9292 -1.1843 -0.0094 C.3 1 UNL1 -0.1503 25 C 4.1133 -3.7040 0.2008 C.ar 1 UNL1 -0.0510 26 H 0.8869 2.4210 -1.3234 H 1 UNL1 0.1715 27 H 0.4428 3.6176 0.8973 H 1 UNL1 0.1422 28 H 1.2200 2.2753 1.7448 H 1 UNL1 0.1489 29 H 2.5308 3.9925 -0.4697 H 1 UNL1 0.1389 30 H 3.3042 2.6052 0.3009 H 1 UNL1 0.1378 31 H -0.8479 1.5867 1.8999 H 1 UNL1 0.1580 32 H -0.8999 1.2659 -2.3946 H 1 UNL1 0.1608 33 H 3.1192 3.7447 2.5570 H 1 UNL1 0.1393 34 H 4.0105 4.7492 1.4098 H 1 UNL1 0.1398 35 H 2.3294 5.1313 1.7967 H 1 UNL1 0.1411 36 H -3.2300 0.9450 1.9736 H 1 UNL1 0.1487 37 H -3.2840 0.6136 -2.3153 H 1 UNL1 0.1528 38 H -5.3986 0.6928 -1.0142 H 1 UNL1 0.1668 39 H -5.3724 0.8147 0.7407 H 1 UNL1 0.1653 40 H 1.9692 -2.3595 2.4828 H 1 UNL1 0.1411 41 H 4.5998 -2.8494 -1.7298 H 1 UNL1 0.1852 42 H 0.9555 -0.7618 2.4224 H 1 UNL1 0.3275 43 H 3.4441 -4.3169 2.1594 H 1 UNL1 0.1596 44 H -4.5110 -1.6941 -0.8923 H 1 UNL1 0.1563 45 H -4.4454 -1.5721 0.9011 H 1 UNL1 0.1532 46 H 4.7582 -4.5766 0.0818 H 1 UNL1 0.1558 @BOND 1 4 13 2 2 32 12 1 3 37 18 1 4 41 22 1 5 2 13 ar 6 2 19 ar 7 13 7 ar 8 12 18 ar 9 12 8 ar 10 18 16 ar 11 26 5 1 12 38 20 1 13 44 24 1 14 22 19 ar 15 22 25 ar 16 19 14 ar 17 29 9 1 18 7 5 1 19 7 10 ar 20 5 8 1 21 5 6 1 22 8 11 ar 23 16 20 1 24 16 17 ar 25 20 24 1 26 20 39 1 27 24 1 1 28 24 45 1 29 46 25 1 30 25 23 ar 31 30 9 1 32 9 6 1 33 9 15 1 34 14 10 ar 35 14 21 ar 36 10 3 1 37 6 27 1 38 6 28 1 39 11 17 ar 40 11 31 1 41 17 36 1 42 23 21 ar 43 23 43 1 44 34 15 1 45 21 40 1 46 15 35 1 47 15 33 1 48 3 42 1