@MOLECULE 4-(1-benzofuran-2-ylcarbonyl)-6-benzyl-1-(4-methylbenzyl)-2-piperazinone 59 63 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.1333 2.9169 -1.2433 O.2 1 UNL11 -0.5463 2 O 3.6536 0.8236 0.7653 O.2 1 UNL11 -0.2002 3 O 1.6303 -2.0015 1.1664 O.2 1 UNL11 -0.5130 4 N -1.1500 0.9185 -0.9988 N.am 1 UNL11 -0.4948 5 N 0.9019 0.1017 0.7927 N.am 1 UNL11 -0.4544 6 C -1.3197 -0.3302 -0.2450 C.3 1 UNL11 0.0721 7 C -0.4820 -0.2914 1.0585 C.3 1 UNL11 -0.1114 8 C -0.9305 -1.5341 -1.1363 C.3 1 UNL11 -0.3175 9 C 1.0534 1.3901 0.1253 C.3 1 UNL11 -0.1531 10 C -0.1341 1.8081 -0.7415 C.2 1 UNL11 0.5615 11 C -2.3163 1.3766 -1.7729 C.3 1 UNL11 -0.0739 12 C -1.6286 -2.7599 -0.6371 C.ar 1 UNL11 -0.0009 13 C 1.8891 -0.8633 0.8169 C.2 1 UNL11 0.5788 14 C -3.4594 1.7428 -0.8645 C.ar 1 UNL11 -0.0715 15 C 3.2720 -0.4898 0.4792 C.ar 1 UNL11 0.0066 16 C -0.9482 -3.6844 0.1558 C.ar 1 UNL11 -0.1628 17 C -2.9761 -2.9642 -0.9447 C.ar 1 UNL11 -0.1767 18 C -4.5616 0.8971 -0.7422 C.ar 1 UNL11 -0.1437 19 C -3.4010 2.9242 -0.1246 C.ar 1 UNL11 -0.1274 20 C 4.2943 -1.2264 -0.0418 C.ar 1 UNL11 -0.1533 21 C -1.6156 -4.8046 0.6459 C.ar 1 UNL11 -0.1370 22 C -3.6408 -4.0837 -0.4512 C.ar 1 UNL11 -0.1410 23 C -5.5983 1.2270 0.1259 C.ar 1 UNL11 -0.1866 24 C -4.4371 3.2545 0.7431 C.ar 1 UNL11 -0.1869 25 C 5.4323 -0.3373 -0.1218 C.ar 1 UNL11 -0.1054 26 C -5.5398 2.4061 0.8739 C.ar 1 UNL11 0.0515 27 C 4.9800 0.9051 0.3889 C.ar 1 UNL11 0.1570 28 C -2.9619 -5.0041 0.3461 C.ar 1 UNL11 -0.1615 29 C 6.7510 -0.4456 -0.5562 C.ar 1 UNL11 -0.0913 30 C 5.7733 2.0390 0.4869 C.ar 1 UNL11 -0.2061 31 C -6.6450 2.7451 1.8150 C.3 1 UNL11 -0.4601 32 C 7.5630 0.6795 -0.4675 C.ar 1 UNL11 -0.1921 33 C 7.0841 1.8988 0.0442 C.ar 1 UNL11 -0.1000 34 H -2.4038 -0.4320 0.0494 H 1 UNL11 0.1588 35 H -0.9247 0.4345 1.7797 H 1 UNL11 0.1573 36 H -0.5148 -1.2956 1.5523 H 1 UNL11 0.1917 37 H 0.1700 -1.6682 -1.1473 H 1 UNL11 0.1677 38 H -1.1981 -1.3304 -2.1932 H 1 UNL11 0.1633 39 H 1.2126 2.1851 0.9003 H 1 UNL11 0.1844 40 H 1.9587 1.4158 -0.5327 H 1 UNL11 0.1859 41 H -2.0181 2.2579 -2.3990 H 1 UNL11 0.1828 42 H -2.6009 0.5726 -2.4905 H 1 UNL11 0.1469 43 H 0.1061 -3.5289 0.4004 H 1 UNL11 0.1814 44 H -3.5071 -2.2498 -1.5687 H 1 UNL11 0.1470 45 H -4.6175 -0.0216 -1.3234 H 1 UNL11 0.1493 46 H -2.5367 3.5848 -0.2279 H 1 UNL11 0.1703 47 H 4.2842 -2.2592 -0.3345 H 1 UNL11 0.1876 48 H -1.0824 -5.5222 1.2667 H 1 UNL11 0.1494 49 H -4.6909 -4.2398 -0.6873 H 1 UNL11 0.1440 50 H -6.4553 0.5649 0.2229 H 1 UNL11 0.1519 51 H -4.3866 4.1756 1.3196 H 1 UNL11 0.1545 52 H -3.4821 -5.8764 0.7332 H 1 UNL11 0.1448 53 H 7.1297 -1.3850 -0.9522 H 1 UNL11 0.1588 54 H 5.3914 2.9737 0.8842 H 1 UNL11 0.1749 55 H -6.5584 2.1632 2.7457 H 1 UNL11 0.1627 56 H -6.6488 3.8065 2.0983 H 1 UNL11 0.1574 57 H -7.6331 2.5258 1.3867 H 1 UNL11 0.1581 58 H 8.5982 0.6219 -0.8006 H 1 UNL11 0.1561 59 H 7.7609 2.7523 0.0929 H 1 UNL11 0.1543 @BOND 1 42 11 1 2 41 11 1 3 38 8 1 4 11 4 1 5 11 14 1 6 44 17 1 7 45 18 1 8 1 10 2 9 37 8 1 10 8 12 1 11 8 6 1 12 4 10 am 13 4 6 1 14 53 29 1 15 17 12 ar 16 17 22 ar 17 14 18 ar 18 14 19 ar 19 58 32 1 20 18 23 ar 21 10 9 1 22 49 22 1 23 12 16 ar 24 29 32 ar 25 29 25 ar 26 40 9 1 27 32 33 ar 28 22 28 ar 29 47 20 1 30 6 34 1 31 6 7 1 32 46 19 1 33 19 24 ar 34 25 20 ar 35 25 27 ar 36 20 15 ar 37 33 59 1 38 33 30 ar 39 9 5 1 40 9 39 1 41 23 50 1 42 23 26 ar 43 16 43 1 44 16 21 ar 45 28 21 ar 46 28 52 1 47 27 30 ar 48 27 2 ar 49 15 2 ar 50 15 13 1 51 30 54 1 52 21 48 1 53 24 26 ar 54 24 51 1 55 5 13 am 56 5 7 1 57 13 3 2 58 26 31 1 59 7 36 1 60 7 35 1 61 57 31 1 62 31 56 1 63 31 55 1