@MOLECULE 7-chloro-3-[3-(4-methoxybenzyl)phenyl]quinoline-2,4-diol 46 49 0 0 0 SMALL USER_CHARGES @ATOM 1 CL 6.8898 2.0067 0.3301 Cl 1 UNL11111111 -0.0667 2 O 0.6049 0.3988 -1.5534 O.2 1 UNL11111111 -0.4123 3 O 1.7715 -3.1111 1.3370 O.2 1 UNL11111111 -0.4647 4 O -5.7483 3.2054 -0.3914 O.3 1 UNL11111111 -0.3200 5 N 3.2752 -1.5029 0.9479 N.am 1 UNL11111111 -0.5400 6 C 1.0948 -1.3597 -0.1521 C.2 1 UNL11111111 -0.3118 7 C -0.2395 -1.9165 -0.3816 C.ar 1 UNL11111111 0.0695 8 C -2.5509 -2.1258 0.2812 C.ar 1 UNL11111111 0.0312 9 C -3.6680 -1.7690 1.2199 C.3 1 UNL11111111 -0.2899 10 C 2.8084 0.3712 -0.5165 C.ar 1 UNL11111111 -0.2614 11 C 1.4996 -0.1982 -0.7431 C.2 1 UNL11111111 0.3672 12 C -1.2706 -1.6206 0.5104 C.ar 1 UNL11111111 -0.1689 13 C 3.6800 -0.3279 0.3555 C.ar 1 UNL11111111 0.3029 14 C 1.9785 -2.0822 0.7394 C.2 1 UNL11111111 0.6101 15 C -4.2123 -0.4243 0.8358 C.ar 1 UNL11111111 -0.0478 16 C -0.4795 -2.7244 -1.4956 C.ar 1 UNL11111111 -0.1577 17 C -2.7933 -2.9329 -0.8311 C.ar 1 UNL11111111 -0.1794 18 C -1.7577 -3.2314 -1.7142 C.ar 1 UNL11111111 -0.1345 19 C 3.2402 1.5685 -1.1108 C.ar 1 UNL11111111 -0.0280 20 C 4.9740 0.1903 0.6222 C.ar 1 UNL11111111 -0.3088 21 C -3.6657 0.7357 1.3815 C.ar 1 UNL11111111 -0.1007 22 C -5.2509 -0.3323 -0.0989 C.ar 1 UNL11111111 -0.1026 23 C 4.4987 2.0775 -0.8553 C.ar 1 UNL11111111 -0.2564 24 C 5.3375 1.3678 0.0145 C.ar 1 UNL11111111 0.1262 25 C -4.1426 1.9918 1.0079 C.ar 1 UNL11111111 -0.2897 26 C -5.7414 0.9053 -0.4854 C.ar 1 UNL11111111 -0.2419 27 C -5.1762 2.0617 0.0763 C.ar 1 UNL11111111 0.2380 28 C -5.2565 4.4337 0.1237 C.3 1 UNL11111111 -0.2022 29 H -4.4671 -2.5396 1.2016 H 1 UNL11111111 0.1563 30 H -3.3085 -1.7672 2.2714 H 1 UNL11111111 0.1596 31 H -1.0751 -0.9925 1.3762 H 1 UNL11111111 0.1568 32 H 0.3293 -2.9542 -2.1844 H 1 UNL11111111 0.1539 33 H 3.9094 -1.9999 1.5710 H 1 UNL11111111 0.3294 34 H -3.7903 -3.3252 -1.0134 H 1 UNL11111111 0.1485 35 H -1.9490 -3.8617 -2.5799 H 1 UNL11111111 0.1458 36 H 2.5734 2.1098 -1.7867 H 1 UNL11111111 0.1473 37 H 5.6476 -0.3407 1.2928 H 1 UNL11111111 0.1876 38 H -2.8527 0.6663 2.1034 H 1 UNL11111111 0.1515 39 H -5.6714 -1.2397 -0.5311 H 1 UNL11111111 0.1538 40 H 4.8333 3.0050 -1.3170 H 1 UNL11111111 0.1802 41 H -3.7064 2.8844 1.4398 H 1 UNL11111111 0.1587 42 H -6.5453 0.9969 -1.2106 H 1 UNL11111111 0.1699 43 H 0.9359 1.2497 -1.9423 H 1 UNL11111111 0.3239 44 H -5.8824 5.1714 -0.3969 H 1 UNL11111111 0.1517 45 H -4.2032 4.5728 -0.1379 H 1 UNL11111111 0.1322 46 H -5.4127 4.4962 1.2050 H 1 UNL11111111 0.1333 @BOND 1 35 18 1 2 32 16 1 3 43 2 1 4 36 19 1 5 18 16 ar 6 18 17 ar 7 2 11 1 8 16 7 ar 9 40 23 1 10 42 26 1 11 19 23 ar 12 19 10 ar 13 34 17 1 14 23 24 ar 15 17 8 ar 16 11 10 1 17 11 6 2 18 39 22 1 19 10 13 ar 20 26 22 ar 21 26 27 ar 22 44 28 1 23 4 27 1 24 4 28 1 25 7 6 1 26 7 12 ar 27 6 14 1 28 45 28 1 29 22 15 ar 30 24 1 1 31 24 20 ar 32 27 25 ar 33 28 46 1 34 8 12 ar 35 8 9 1 36 13 20 ar 37 13 5 1 38 12 31 1 39 20 37 1 40 14 5 am 41 14 3 2 42 15 9 1 43 15 21 ar 44 5 33 1 45 25 21 ar 46 25 41 1 47 29 9 1 48 9 30 1 49 21 38 1