@MOLECULE 1-{[(1,3-dihydroxy-2-propanyl)oxy]methyl}-6-(2-methyl-2-propanyl)-5,6,7,8-tetrahydro-2,4(1h,3h)-quinazolinedione 49 50 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.4618 -0.4356 0.2053 O.3 1 UNL1 -0.4718 2 O 2.0024 3.4111 0.8214 O.2 1 UNL1 -0.4767 3 O -2.3817 2.9225 -0.1844 O.2 1 UNL1 -0.5145 4 O -5.6184 -1.0785 -0.9127 O.3 1 UNL1 -0.5557 5 O -1.9665 -2.9019 1.1147 O.3 1 UNL1 -0.5346 6 N -1.0114 1.1244 -0.5801 N.ar 1 UNL1 -0.4774 7 N -0.1832 3.1636 0.3637 N.ar 1 UNL1 -0.6253 8 C 2.8690 -0.6223 -0.5021 C.3 1 UNL1 -0.1195 9 C 4.2221 -1.3017 -0.1500 C.3 1 UNL1 0.1168 10 C 1.6640 -1.5325 -0.2175 C.3 1 UNL1 -0.2688 11 C 2.6608 0.6967 0.2624 C.3 1 UNL1 -0.2399 12 C 0.3911 -0.9132 -0.8093 C.3 1 UNL1 -0.3079 13 C 1.2899 1.2525 0.0658 C.ar 1 UNL1 -0.2830 14 C 0.2429 0.5206 -0.3979 C.ar 1 UNL1 0.2843 15 C 5.3718 -0.2983 -0.3516 C.3 1 UNL1 -0.4691 16 C 4.2522 -1.8116 1.2977 C.3 1 UNL1 -0.4637 17 C 4.4536 -2.4881 -1.1056 C.3 1 UNL1 -0.4711 18 C 1.1416 2.6510 0.4428 C.ar 1 UNL1 0.6107 19 C -1.2725 2.4366 -0.1135 C.ar 1 UNL1 0.7075 20 C -2.1838 0.3339 -0.9582 C.3 1 UNL1 0.1667 21 C -3.5187 -1.3725 0.0618 C.3 1 UNL1 0.0600 22 C -4.8653 -0.6523 0.2125 C.3 1 UNL1 -0.0540 23 C -3.2642 -2.3593 1.2203 C.3 1 UNL1 -0.0246 24 H 2.8898 -0.3915 -1.5960 H 1 UNL1 0.1396 25 H 1.5457 -1.6752 0.8735 H 1 UNL1 0.1502 26 H 1.8193 -2.5409 -0.6408 H 1 UNL1 0.1452 27 H 3.4176 1.4475 -0.0580 H 1 UNL1 0.1669 28 H 2.8456 0.5482 1.3494 H 1 UNL1 0.1593 29 H -0.4851 -1.5264 -0.5012 H 1 UNL1 0.1723 30 H 0.4260 -0.9741 -1.9210 H 1 UNL1 0.1682 31 H 5.3476 0.5039 0.3948 H 1 UNL1 0.1519 32 H 6.3462 -0.7895 -0.2597 H 1 UNL1 0.1440 33 H 5.3297 0.1656 -1.3428 H 1 UNL1 0.1456 34 H 3.5097 -2.5961 1.4675 H 1 UNL1 0.1446 35 H 4.0547 -1.0060 2.0144 H 1 UNL1 0.1493 36 H 5.2321 -2.2343 1.5448 H 1 UNL1 0.1432 37 H 4.4198 -2.1717 -2.1528 H 1 UNL1 0.1432 38 H 5.4337 -2.9461 -0.9346 H 1 UNL1 0.1453 39 H 3.7034 -3.2763 -0.9691 H 1 UNL1 0.1433 40 H -1.9566 -0.3318 -1.8185 H 1 UNL1 0.1323 41 H -3.0557 0.9931 -1.1845 H 1 UNL1 0.1699 42 H -0.3550 4.1284 0.6570 H 1 UNL1 0.3470 43 H -3.4486 -1.8896 -0.9235 H 1 UNL1 0.1555 44 H -4.7432 0.4475 0.1863 H 1 UNL1 0.1451 45 H -5.4018 -0.9280 1.1369 H 1 UNL1 0.1255 46 H -3.9306 -3.2392 1.1528 H 1 UNL1 0.1512 47 H -3.3670 -1.8751 2.2082 H 1 UNL1 0.1306 48 H -6.4918 -0.6440 -0.9248 H 1 UNL1 0.3194 49 H -1.3176 -2.1583 1.0949 H 1 UNL1 0.3229 @BOND 1 37 17 1 2 30 12 1 3 40 20 1 4 24 8 1 5 33 15 1 6 41 20 1 7 17 39 1 8 17 38 1 9 17 9 1 10 20 6 1 11 20 1 1 12 48 4 1 13 43 21 1 14 4 22 1 15 12 29 1 16 12 14 1 17 12 10 1 18 26 10 1 19 6 14 ar 20 6 19 ar 21 8 10 1 22 8 9 1 23 8 11 1 24 14 13 ar 25 15 32 1 26 15 9 1 27 15 31 1 28 10 25 1 29 3 19 2 30 9 16 1 31 19 7 ar 32 27 11 1 33 21 1 1 34 21 22 1 35 21 23 1 36 13 11 1 37 13 18 ar 38 44 22 1 39 22 45 1 40 11 28 1 41 7 18 ar 42 7 42 1 43 18 2 2 44 49 5 1 45 5 23 1 46 46 23 1 47 23 47 1 48 16 34 1 49 16 36 1 50 16 35 1