@MOLECULE (6r,7s)-6,7-bis(4-bromophenyl)-2,12-dimethyl-7,12-dihydro-6h-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine 53 58 0 0 0 SMALL GASTEIGER @ATOM 1 BR 3.9940 -1.8964 -1.9072 Br 1 UNL1111111111 -0.0601 2 BR 4.4853 2.1702 0.6656 Br 1 UNL1111111111 -0.0606 3 O -2.1453 2.3413 -0.1030 O.3 1 UNL1111111111 -0.3306 4 N -1.8288 -2.1581 1.6572 N.ar 1 UNL1111111111 -0.2240 5 N -3.6204 -1.5930 0.0895 N.pl3 1 UNL1111111111 -0.3428 6 N -1.4757 -3.1798 2.4790 N.ar 1 UNL1111111111 -0.2491 7 N -3.3370 -3.7639 1.2839 N.ar 1 UNL1111111111 -0.4331 8 C -1.9989 0.0838 0.8353 C.2 1 UNL1111111111 -0.2770 9 C -1.0718 -0.9159 1.4787 C.3 1 UNL1111111111 0.1298 10 C -3.1393 -0.2584 0.1828 C.2 1 UNL1111111111 0.2269 11 C -1.6320 1.5317 0.9724 C.3 1 UNL1111111111 0.1365 12 C -3.9874 0.7945 -0.3716 C.ar 1 UNL1111111111 -0.1733 13 C -2.9743 -2.5100 0.9307 C.ar 1 UNL1111111111 0.3347 14 C 0.1482 -1.2124 0.6258 C.ar 1 UNL1111111111 -0.0547 15 C -3.4099 2.0646 -0.5062 C.ar 1 UNL1111111111 0.2560 16 C -0.1463 1.7697 0.8961 C.ar 1 UNL1111111111 -0.0386 17 C -3.8932 -2.1358 -1.2567 C.3 1 UNL1111111111 -0.2420 18 C -5.3269 0.6322 -0.7391 C.ar 1 UNL1111111111 -0.0922 19 C -4.0927 3.1281 -1.1078 C.ar 1 UNL1111111111 -0.2398 20 C 1.3581 -1.4894 1.2640 C.ar 1 UNL1111111111 -0.1115 21 C 0.0704 -1.2083 -0.7667 C.ar 1 UNL1111111111 -0.1280 22 C -6.0304 1.6863 -1.3150 C.ar 1 UNL1111111111 -0.0313 23 C 0.6006 1.8356 2.0733 C.ar 1 UNL1111111111 -0.1430 24 C 0.4767 1.8993 -0.3460 C.ar 1 UNL1111111111 -0.1012 25 C -2.3944 -4.1484 2.2375 C.ar 1 UNL1111111111 0.0776 26 C -5.4008 2.9236 -1.5179 C.ar 1 UNL1111111111 -0.1029 27 C 2.5094 -1.7109 0.5107 C.ar 1 UNL1111111111 -0.1509 28 C 1.2145 -1.4315 -1.5300 C.ar 1 UNL1111111111 -0.1584 29 C 1.9863 1.9714 2.0103 C.ar 1 UNL1111111111 -0.1549 30 C 1.8611 2.0461 -0.4184 C.ar 1 UNL1111111111 -0.1557 31 C -7.4563 1.5145 -1.7136 C.3 1 UNL1111111111 -0.4447 32 C 2.4180 -1.6608 -0.8745 C.ar 1 UNL1111111111 -0.0014 33 C 2.5925 2.0572 0.7627 C.ar 1 UNL1111111111 -0.0125 34 H -0.7476 -0.5445 2.4970 H 1 UNL1111111111 0.1804 35 H -2.0785 1.9618 1.9069 H 1 UNL1111111111 0.1545 36 H -4.6076 -2.9783 -1.1504 H 1 UNL1111111111 0.1807 37 H -2.9840 -2.5160 -1.7536 H 1 UNL1111111111 0.1461 38 H -4.3490 -1.3696 -1.9043 H 1 UNL1111111111 0.1636 39 H -5.8246 -0.3234 -0.5553 H 1 UNL1111111111 0.1740 40 H -3.5980 4.0889 -1.2299 H 1 UNL1111111111 0.1767 41 H 1.4065 -1.5370 2.3532 H 1 UNL1111111111 0.1694 42 H -0.8807 -1.0143 -1.2623 H 1 UNL1111111111 0.1608 43 H 0.1094 1.7734 3.0435 H 1 UNL1111111111 0.1602 44 H -0.1177 1.8734 -1.2617 H 1 UNL1111111111 0.1732 45 H -2.4151 -5.1110 2.7220 H 1 UNL1111111111 0.2052 46 H -5.9543 3.7370 -1.9873 H 1 UNL1111111111 0.1551 47 H 3.4553 -1.9126 1.0137 H 1 UNL1111111111 0.1717 48 H 1.1514 -1.4167 -2.6178 H 1 UNL1111111111 0.1714 49 H 2.5706 2.0034 2.9293 H 1 UNL1111111111 0.1678 50 H 2.3467 2.1346 -1.3900 H 1 UNL1111111111 0.1709 51 H -8.1189 2.1465 -1.1028 H 1 UNL1111111111 0.1596 52 H -7.8090 0.4804 -1.5982 H 1 UNL1111111111 0.1567 53 H -7.6200 1.7927 -2.7646 H 1 UNL1111111111 0.1556 @BOND 1 1 32 1 2 2 33 1 3 3 11 1 4 3 15 1 5 4 6 ar 6 4 9 1 7 4 13 ar 8 5 10 1 9 5 13 1 10 5 17 1 11 6 25 ar 12 7 13 ar 13 7 25 ar 14 8 9 1 15 8 10 2 16 8 11 1 17 9 14 1 18 9 34 1 19 10 12 1 20 11 16 1 21 11 35 1 22 12 15 ar 23 12 18 ar 24 14 20 ar 25 14 21 ar 26 15 19 ar 27 16 23 ar 28 16 24 ar 29 17 36 1 30 17 37 1 31 17 38 1 32 18 22 ar 33 18 39 1 34 19 26 ar 35 19 40 1 36 20 27 ar 37 20 41 1 38 21 28 ar 39 21 42 1 40 22 26 ar 41 22 31 1 42 23 29 ar 43 23 43 1 44 24 30 ar 45 24 44 1 46 25 45 1 47 26 46 1 48 27 32 ar 49 27 47 1 50 28 32 ar 51 28 48 1 52 29 33 ar 53 29 49 1 54 30 33 ar 55 30 50 1 56 31 51 1 57 31 52 1 58 31 53 1