@MOLECULE 5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3',6'-dihydroxy-3h-spiro[2-benzofuran-1,9'-xanthen]-3-one 46 51 0 0 0 SMALL GASTEIGER @ATOM 1 CL -7.7738 0.8968 1.5354 Cl 1 UNL1111111111 0.0825 2 CL -5.1427 -1.6581 -2.1644 Cl 1 UNL1111111111 0.0913 3 O 2.0925 -0.1767 -1.8591 O.3 1 UNL1111111111 -0.3890 4 O 5.0010 -0.2701 0.8668 O.3 1 UNL1111111111 -0.2700 5 O 0.3142 -0.0394 -3.2052 O.2 1 UNL1111111111 -0.4019 6 O 4.4480 -4.9272 1.3638 O.3 1 UNL1111111111 -0.4595 7 O 6.1572 4.1399 0.0521 O.3 1 UNL1111111111 -0.4596 8 N -2.8724 1.1829 1.2421 N.pl3 1 UNL1111111111 -0.4350 9 N -3.9662 -0.1888 -0.3840 N.ar 1 UNL1111111111 -0.5493 10 N -5.1887 1.0079 1.3313 N.ar 1 UNL1111111111 -0.5584 11 N -6.3621 -0.3404 -0.2730 N.ar 1 UNL1111111111 -0.5086 12 C 2.4120 -0.0173 -0.4447 C.3 1 UNL1111111111 0.2991 13 C 1.0805 0.3167 0.2004 C.ar 1 UNL1111111111 -0.0494 14 C 2.9627 -1.3170 0.0313 C.ar 1 UNL1111111111 -0.2528 15 C 3.3881 1.1042 -0.3427 C.ar 1 UNL1111111111 -0.2508 16 C 0.0946 0.3399 -0.7973 C.ar 1 UNL1111111111 -0.1503 17 C 4.2114 -1.3675 0.6486 C.ar 1 UNL1111111111 0.3093 18 C 4.6133 0.9151 0.3023 C.ar 1 UNL1111111111 0.2991 19 C 0.7462 0.0348 -2.0936 C.2 1 UNL1111111111 0.5745 20 C 0.7666 0.5707 1.5204 C.ar 1 UNL1111111111 -0.1118 21 C 2.2506 -2.5117 -0.1440 C.ar 1 UNL1111111111 0.0064 22 C 3.1108 2.3559 -0.8998 C.ar 1 UNL1111111111 0.0168 23 C -1.2269 0.6092 -0.5144 C.ar 1 UNL1111111111 -0.0822 24 C -1.5491 0.8583 0.8331 C.ar 1 UNL1111111111 0.1581 25 C -0.5671 0.8433 1.8365 C.ar 1 UNL1111111111 -0.1706 26 C 4.7684 -2.5558 1.1284 C.ar 1 UNL1111111111 -0.4015 27 C 5.5525 1.9350 0.4472 C.ar 1 UNL1111111111 -0.3386 28 C 2.7646 -3.7146 0.3097 C.ar 1 UNL1111111111 -0.2975 29 C 4.0192 3.3999 -0.7879 C.ar 1 UNL1111111111 -0.3608 30 C 4.0187 -3.7159 0.9439 C.ar 1 UNL1111111111 0.3588 31 C 5.2258 3.1718 -0.1100 C.ar 1 UNL1111111111 0.3570 32 C -4.0056 0.6466 0.7071 C.ar 1 UNL1111111111 0.5463 33 C -6.3077 0.4891 0.8008 C.ar 1 UNL1111111111 0.3878 34 C -5.1593 -0.6385 -0.8190 C.ar 1 UNL1111111111 0.3864 35 H 1.5304 0.5541 2.2968 H 1 UNL1111111111 0.1709 36 H 1.2802 -2.4858 -0.6481 H 1 UNL1111111111 0.1681 37 H 2.1680 2.5078 -1.4319 H 1 UNL1111111111 0.1634 38 H -1.9834 0.6192 -1.3060 H 1 UNL1111111111 0.2075 39 H -0.8395 1.0343 2.8744 H 1 UNL1111111111 0.1644 40 H 5.7397 -2.5566 1.6082 H 1 UNL1111111111 0.1858 41 H 6.4979 1.7755 0.9582 H 1 UNL1111111111 0.1997 42 H 2.2265 -4.6510 0.1829 H 1 UNL1111111111 0.1859 43 H 3.8017 4.3695 -1.2213 H 1 UNL1111111111 0.1696 44 H -2.9841 1.7557 2.0848 H 1 UNL1111111111 0.3439 45 H 5.3421 -4.8891 1.7868 H 1 UNL1111111111 0.3328 46 H 5.8963 4.9920 -0.3787 H 1 UNL1111111111 0.3322 @BOND 1 1 33 1 2 2 34 1 3 3 12 1 4 3 19 1 5 4 17 1 6 4 18 1 7 5 19 2 8 6 30 1 9 6 45 1 10 7 31 1 11 7 46 1 12 8 24 1 13 8 32 1 14 8 44 1 15 9 32 ar 16 9 34 ar 17 10 32 ar 18 10 33 ar 19 11 33 ar 20 11 34 ar 21 12 13 1 22 12 14 1 23 12 15 1 24 13 16 ar 25 13 20 ar 26 14 17 ar 27 14 21 ar 28 15 18 ar 29 15 22 ar 30 16 19 1 31 16 23 ar 32 17 26 ar 33 18 27 ar 34 20 25 ar 35 20 35 1 36 21 28 ar 37 21 36 1 38 22 29 ar 39 22 37 1 40 23 24 ar 41 23 38 1 42 24 25 ar 43 25 39 1 44 26 30 ar 45 26 40 1 46 27 31 ar 47 27 41 1 48 28 30 ar 49 28 42 1 50 29 31 ar 51 29 43 1