@MOLECULE n-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-1,4-dihydro-2-quinazolinyl)sulfanyl]propanamide 56 59 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N -0.6887 2.1242 -0.1875 N.am 1 UNL1 -0.6404 2 C 0.5204 1.5545 -0.5423 C.2 1 UNL1 0.5868 3 O 0.5690 0.6482 -1.3458 O.2 1 UNL1 -0.5167 4 C 1.7519 2.1539 0.1145 C.3 1 UNL1 -0.3591 5 C 2.8217 1.0750 0.1939 C.3 1 UNL1 -0.2888 6 S 4.2694 1.7551 1.0943 S.3 1 UNL1 0.0713 7 C 5.5745 0.6032 0.7010 C.ar 1 UNL1 0.3163 8 N 6.8024 0.8290 1.3044 N.ar 1 UNL1 -0.5702 9 C 7.9059 -0.0386 1.0418 C.ar 1 UNL1 0.5897 10 O 8.9478 0.2208 1.5964 O.2 1 UNL1 -0.4726 11 N 5.3296 -0.3832 -0.1218 N.ar 1 UNL1 -0.5034 12 C 6.3494 -1.2808 -0.4330 C.ar 1 UNL1 0.2402 13 C 7.6355 -1.1422 0.1277 C.ar 1 UNL1 -0.2541 14 C 8.6450 -2.0599 -0.1954 C.ar 1 UNL1 -0.0413 15 C 8.3720 -3.0986 -1.0682 C.ar 1 UNL1 -0.2051 16 C 7.0911 -3.2326 -1.6307 C.ar 1 UNL1 -0.0734 17 C 6.0810 -2.3395 -1.3237 C.ar 1 UNL1 -0.1942 18 C -4.2795 2.1383 -1.4518 C.3 1 UNL1 -0.2965 19 C -2.9610 2.7073 -0.9257 C.3 1 UNL1 -0.3043 20 C -1.9419 1.5664 -0.7199 C.3 1 UNL1 0.1063 21 C -2.4960 0.5074 0.2613 C.3 1 UNL1 -0.3046 22 C -3.8135 -0.0529 -0.2706 C.3 1 UNL1 -0.3222 23 C -4.8134 1.0904 -0.4643 C.3 1 UNL1 0.1219 24 O -5.9744 0.5851 -1.1400 O.3 1 UNL1 -0.3567 25 C -6.8957 -0.1037 -0.4364 C.ar 1 UNL1 0.3080 26 C -6.8648 -0.3428 0.9408 C.ar 1 UNL1 -0.3255 27 C -7.9054 -1.0608 1.5198 C.ar 1 UNL1 -0.0221 28 C -8.9609 -1.5326 0.7333 C.ar 1 UNL1 -0.1317 29 C -8.9800 -1.2858 -0.6498 C.ar 1 UNL1 -0.0321 30 C -7.9517 -0.5751 -1.2413 C.ar 1 UNL1 -0.2665 31 C -10.0178 -2.2614 1.3341 C.1 1 UNL1 0.1274 32 N -10.8806 -2.8556 1.8279 N.1 1 UNL1 -0.2549 33 H -0.7612 2.8371 0.5147 H 1 UNL1 0.3067 34 H 2.0907 3.0147 -0.5067 H 1 UNL1 0.1828 35 H 1.5098 2.5697 1.1130 H 1 UNL1 0.1619 36 H 2.4516 0.1633 0.7041 H 1 UNL1 0.1807 37 H 3.1142 0.7230 -0.8246 H 1 UNL1 0.2109 38 H 6.9588 1.6086 1.9419 H 1 UNL1 0.3395 39 H 9.6370 -1.9391 0.2497 H 1 UNL1 0.1748 40 H 9.1479 -3.8173 -1.3252 H 1 UNL1 0.1617 41 H 6.8962 -4.0558 -2.3199 H 1 UNL1 0.1538 42 H 5.0826 -2.4310 -1.7516 H 1 UNL1 0.1817 43 H -5.0255 2.9427 -1.5967 H 1 UNL1 0.1555 44 H -4.1427 1.6814 -2.4526 H 1 UNL1 0.1642 45 H -2.5548 3.4483 -1.6416 H 1 UNL1 0.1541 46 H -3.1295 3.2562 0.0187 H 1 UNL1 0.1413 47 H -1.7224 1.0749 -1.7092 H 1 UNL1 0.1724 48 H -1.7539 -0.3073 0.3800 H 1 UNL1 0.1603 49 H -2.6316 0.9410 1.2675 H 1 UNL1 0.1404 50 H -3.6533 -0.5805 -1.2332 H 1 UNL1 0.1663 51 H -4.2178 -0.8203 0.4157 H 1 UNL1 0.1546 52 H -5.1130 1.5584 0.4963 H 1 UNL1 0.1275 53 H -6.0517 0.0203 1.5610 H 1 UNL1 0.1708 54 H -7.8982 -1.2568 2.5943 H 1 UNL1 0.1611 55 H -9.8102 -1.6582 -1.2542 H 1 UNL1 0.1642 56 H -7.9407 -0.3716 -2.3104 H 1 UNL1 0.1814 @BOND 1 44 18 1 2 41 16 1 3 56 30 1 4 42 17 1 5 47 20 1 6 45 19 1 7 16 17 ar 8 16 15 ar 9 43 18 1 10 18 19 1 11 18 23 1 12 3 2 2 13 40 15 1 14 17 12 ar 15 55 29 1 16 30 29 ar 17 30 25 ar 18 50 22 1 19 24 23 1 20 24 25 1 21 15 14 ar 22 19 20 1 23 19 46 1 24 37 5 1 25 20 1 1 26 20 21 1 27 29 28 ar 28 2 1 am 29 2 4 1 30 34 4 1 31 23 22 1 32 23 52 1 33 25 26 ar 34 12 11 ar 35 12 13 ar 36 22 21 1 37 22 51 1 38 14 13 ar 39 14 39 1 40 1 33 1 41 11 7 ar 42 4 5 1 43 4 35 1 44 13 9 ar 45 5 36 1 46 5 6 1 47 21 48 1 48 21 49 1 49 7 6 1 50 7 8 ar 51 28 31 1 52 28 27 ar 53 26 27 ar 54 26 53 1 55 9 8 ar 56 9 10 2 57 8 38 1 58 31 32 3 59 27 54 1