@MOLECULE 6-chloro-1-{[2-(diethylamino)ethyl]amino}-4-methyl-9h-xanthen-9-one 48 50 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -6.7235 -1.3671 0.1726 Cl 1 UNL1 -0.0754 2 O -2.6634 1.4909 -0.0707 O.2 1 UNL1 -0.2572 3 O -0.0647 -1.6690 0.0281 O.2 1 UNL1 -0.5320 4 N 5.6432 -0.6790 -0.0566 N.3 1 UNL1 -0.4246 5 N 1.9622 0.0588 -0.1805 N.pl3 1 UNL1 -0.4980 6 C 4.1887 -0.9609 0.0460 C.3 1 UNL1 -0.1456 7 C 3.3958 0.3552 -0.1513 C.3 1 UNL1 -0.0832 8 C 1.0142 1.0340 -0.1683 C.ar 1 UNL1 0.3720 9 C -0.3657 0.6677 -0.0998 C.ar 1 UNL1 -0.4272 10 C 6.4334 -1.9407 -0.0648 C.3 1 UNL1 -0.0971 11 C 6.0895 0.1924 1.0687 C.3 1 UNL1 -0.1010 12 C -1.3073 1.7041 -0.1208 C.ar 1 UNL1 0.3117 13 C -0.9863 3.0585 -0.1894 C.ar 1 UNL1 -0.1761 14 C -0.8185 -0.7104 -0.0059 C.ar 1 UNL1 0.5404 15 C 1.3545 2.4144 -0.2353 C.ar 1 UNL1 -0.3734 16 C -2.2775 -0.9019 0.0468 C.ar 1 UNL1 -0.2802 17 C 0.3730 3.3860 -0.2428 C.ar 1 UNL1 0.0059 18 C -3.1169 0.2135 0.0070 C.ar 1 UNL1 0.2862 19 C 6.0780 -2.8342 -1.2570 C.3 1 UNL1 -0.4516 20 C 7.5493 0.6159 0.8819 C.3 1 UNL1 -0.4524 21 C -2.0630 4.0845 -0.2076 C.3 1 UNL1 -0.4086 22 C -2.8472 -2.1777 0.1319 C.ar 1 UNL1 0.0154 23 C -4.5139 0.1010 0.0455 C.ar 1 UNL1 -0.2870 24 C -4.2306 -2.3261 0.1711 C.ar 1 UNL1 -0.2635 25 C -5.0263 -1.1805 0.1260 C.ar 1 UNL1 0.1188 26 H 3.9054 -1.4463 1.0036 H 1 UNL1 0.1263 27 H 3.9178 -1.6710 -0.7709 H 1 UNL1 0.1586 28 H 3.7111 0.8430 -1.1040 H 1 UNL1 0.1616 29 H 3.6126 1.0716 0.6757 H 1 UNL1 0.1426 30 H 1.6635 -0.9182 -0.1264 H 1 UNL1 0.3529 31 H 7.5073 -1.6498 -0.1579 H 1 UNL1 0.1420 32 H 6.3381 -2.5063 0.8859 H 1 UNL1 0.1124 33 H 5.4570 1.1078 1.0629 H 1 UNL1 0.1363 34 H 5.9532 -0.2934 2.0603 H 1 UNL1 0.1143 35 H 2.3957 2.7098 -0.2921 H 1 UNL1 0.1672 36 H 0.6586 4.4396 -0.2908 H 1 UNL1 0.1492 37 H 5.1492 -3.3916 -1.0999 H 1 UNL1 0.1455 38 H 5.9637 -2.2383 -2.1727 H 1 UNL1 0.1634 39 H 6.8741 -3.5668 -1.4364 H 1 UNL1 0.1445 40 H 8.2525 -0.1621 1.1945 H 1 UNL1 0.1416 41 H 7.7534 0.8470 -0.1738 H 1 UNL1 0.1643 42 H 7.7711 1.5169 1.4638 H 1 UNL1 0.1450 43 H -1.6693 5.1071 -0.2290 H 1 UNL1 0.1449 44 H -2.7172 3.9659 -1.0860 H 1 UNL1 0.1576 45 H -2.7122 4.0016 0.6789 H 1 UNL1 0.1577 46 H -2.1860 -3.0505 0.1675 H 1 UNL1 0.1802 47 H -5.1428 0.9941 0.0124 H 1 UNL1 0.1963 48 H -4.6782 -3.3149 0.2350 H 1 UNL1 0.1794 @BOND 1 38 19 1 2 39 19 1 3 19 37 1 4 19 10 1 5 28 7 1 6 44 21 1 7 27 6 1 8 35 15 1 9 36 17 1 10 17 15 ar 11 17 13 ar 12 15 8 ar 13 43 21 1 14 21 13 1 15 21 45 1 16 13 12 ar 17 5 8 1 18 5 7 1 19 5 30 1 20 41 20 1 21 8 9 ar 22 31 10 1 23 7 6 1 24 7 29 1 25 12 9 ar 26 12 2 ar 27 9 14 ar 28 2 18 ar 29 10 4 1 30 10 32 1 31 4 6 1 32 4 11 1 33 14 3 2 34 14 16 ar 35 18 23 ar 36 18 16 ar 37 47 23 1 38 23 25 ar 39 6 26 1 40 16 22 ar 41 25 24 ar 42 25 1 1 43 22 46 1 44 22 24 ar 45 24 48 1 46 20 11 1 47 20 40 1 48 20 42 1 49 33 11 1 50 11 34 1