@MOLECULE 1-(4-(diethylamino)benzyl)-4-hexyl-2,3-piperazinedione 59 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.1883 0.9237 1.9380 O.2 1 UNL1111111111 -0.4521 2 O -0.4288 2.7451 0.7992 O.2 1 UNL1111111111 -0.4506 3 N -2.2583 -0.2437 0.0041 N.am 1 UNL1111111111 -0.4960 4 N -0.1986 1.4200 -1.0237 N.am 1 UNL1111111111 -0.4774 5 N 5.6220 -0.8367 0.3310 N.pl3 1 UNL1111111111 -0.4481 6 C -1.9070 -0.2831 -1.4181 C.3 1 UNL1111111111 -0.0913 7 C -3.4333 -1.0125 0.4298 C.3 1 UNL1111111111 -0.0631 8 C -0.4122 0.0724 -1.5668 C.3 1 UNL1111111111 -0.0966 9 C -4.7497 -0.3600 -0.0314 C.3 1 UNL1111111111 -0.3068 10 C -5.9427 -1.1977 0.4377 C.3 1 UNL1111111111 -0.2730 11 C 1.0520 2.0869 -1.4337 C.3 1 UNL1111111111 -0.0606 12 C -1.8065 0.7939 0.7984 C.2 1 UNL1111111111 0.4846 13 C -0.7295 1.7280 0.2200 C.2 1 UNL1111111111 0.4854 14 C -7.2606 -0.5654 -0.0276 C.3 1 UNL1111111111 -0.2691 15 C 2.2618 1.3195 -0.9841 C.ar 1 UNL1111111111 -0.1632 16 C -8.4594 -1.4004 0.4421 C.3 1 UNL1111111111 -0.2504 17 C 2.6471 1.3565 0.3584 C.ar 1 UNL1111111111 -0.0531 18 C 2.9987 0.5537 -1.8844 C.ar 1 UNL1111111111 -0.0741 19 C 4.4829 -0.1680 -0.1010 C.ar 1 UNL1111111111 0.2738 20 C 3.7362 0.6260 0.8020 C.ar 1 UNL1111111111 -0.3017 21 C 4.0937 -0.1857 -1.4591 C.ar 1 UNL1111111111 -0.3176 22 C -9.7745 -0.7717 -0.0183 C.3 1 UNL1111111111 -0.4413 23 C 6.3280 -1.7573 -0.5680 C.3 1 UNL1111111111 -0.0527 24 C 5.7971 -1.1275 1.7654 C.3 1 UNL1111111111 -0.0522 25 C 5.5943 -3.0892 -0.7721 C.3 1 UNL1111111111 -0.4828 26 C 6.7052 -0.0646 2.3975 C.3 1 UNL1111111111 -0.4568 27 H -2.0958 -1.3024 -1.8213 H 1 UNL1111111111 0.1492 28 H -2.5357 0.4264 -2.0044 H 1 UNL1111111111 0.1460 29 H -3.3461 -2.0482 0.0355 H 1 UNL1111111111 0.1352 30 H -3.4174 -1.0903 1.5458 H 1 UNL1111111111 0.1713 31 H -0.1199 0.0570 -2.6395 H 1 UNL1111111111 0.1517 32 H 0.2262 -0.6789 -1.0450 H 1 UNL1111111111 0.1551 33 H -4.7648 -0.2505 -1.1300 H 1 UNL1111111111 0.1367 34 H -4.8198 0.6674 0.3795 H 1 UNL1111111111 0.1599 35 H -5.8627 -2.2308 0.0522 H 1 UNL1111111111 0.1328 36 H -5.9360 -1.2823 1.5419 H 1 UNL1111111111 0.1444 37 H 1.0590 3.1220 -1.0040 H 1 UNL1111111111 0.1784 38 H 1.0292 2.2141 -2.5398 H 1 UNL1111111111 0.1420 39 H -7.3446 0.4669 0.3624 H 1 UNL1111111111 0.1424 40 H -7.2725 -0.4744 -1.1293 H 1 UNL1111111111 0.1341 41 H -8.3781 -2.4329 0.0541 H 1 UNL1111111111 0.1310 42 H -8.4498 -1.4895 1.5454 H 1 UNL1111111111 0.1364 43 H 2.0767 1.9669 1.0666 H 1 UNL1111111111 0.1712 44 H 2.7176 0.5282 -2.9368 H 1 UNL1111111111 0.1400 45 H 4.0202 0.6848 1.8485 H 1 UNL1111111111 0.1656 46 H 4.6453 -0.7725 -2.1851 H 1 UNL1111111111 0.1568 47 H -9.8961 0.2413 0.3828 H 1 UNL1111111111 0.1448 48 H -9.8252 -0.7018 -1.1104 H 1 UNL1111111111 0.1413 49 H -10.6352 -1.3623 0.3141 H 1 UNL1111111111 0.1406 50 H 6.4950 -1.2494 -1.5463 H 1 UNL1111111111 0.1445 51 H 7.3457 -1.9377 -0.1494 H 1 UNL1111111111 0.1419 52 H 4.8151 -1.1642 2.2900 H 1 UNL1111111111 0.1404 53 H 6.2462 -2.1359 1.8992 H 1 UNL1111111111 0.1324 54 H 6.1216 -3.7238 -1.4917 H 1 UNL1111111111 0.1512 55 H 4.5763 -2.9311 -1.1503 H 1 UNL1111111111 0.1595 56 H 5.5050 -3.6497 0.1645 H 1 UNL1111111111 0.1503 57 H 6.8226 -0.2328 3.4723 H 1 UNL1111111111 0.1463 58 H 6.2984 0.9449 2.2525 H 1 UNL1111111111 0.1619 59 H 7.7009 -0.0697 1.9392 H 1 UNL1111111111 0.1515 @BOND 1 1 12 2 2 2 13 2 3 3 6 1 4 3 7 1 5 3 12 am 6 4 8 1 7 4 11 1 8 4 13 am 9 5 19 1 10 5 23 1 11 5 24 1 12 6 8 1 13 6 27 1 14 6 28 1 15 7 9 1 16 7 29 1 17 7 30 1 18 8 31 1 19 8 32 1 20 9 10 1 21 9 33 1 22 9 34 1 23 10 14 1 24 10 35 1 25 10 36 1 26 11 15 1 27 11 37 1 28 11 38 1 29 12 13 1 30 14 16 1 31 14 39 1 32 14 40 1 33 15 17 ar 34 15 18 ar 35 16 22 1 36 16 41 1 37 16 42 1 38 17 20 ar 39 17 43 1 40 18 21 ar 41 18 44 1 42 19 20 ar 43 19 21 ar 44 20 45 1 45 21 46 1 46 22 47 1 47 22 48 1 48 22 49 1 49 23 25 1 50 23 50 1 51 23 51 1 52 24 26 1 53 24 52 1 54 24 53 1 55 25 54 1 56 25 55 1 57 25 56 1 58 26 57 1 59 26 58 1 60 26 59 1