@MOLECULE 2-{benzoyl[(1s)-1-phenylethyl]amino}-n,n'-bis(2-methyl-2-propanyl)malonamide 67 68 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.1990 -0.6593 2.0334 O.2 1 UNL111111111 -0.7605 2 O 1.4230 0.4627 2.4928 O.2 1 UNL111111111 -0.9750 3 O -0.5922 1.9825 -2.1643 O.2 1 UNL111111111 -0.7911 4 N -0.0661 0.8491 -0.2871 N.am 1 UNL111111111 0.0042 5 N -0.6479 -2.4147 0.6960 N.am 1 UNL111111111 -0.5883 6 N 2.8618 0.3319 0.7281 N.am 1 UNL111111111 -1.2435 7 C 0.5355 -0.3022 0.3601 C.3 1 UNL111111111 -0.6816 8 C -0.7749 1.8301 0.5712 C.3 1 UNL111111111 -0.1685 9 C -1.6066 -3.3676 1.3089 C.3 1 UNL111111111 1.3715 10 C 4.0508 0.8413 1.4543 C.3 1 UNL111111111 1.1937 11 C -0.5263 -1.1164 1.1421 C.2 1 UNL111111111 0.4685 12 C 1.6299 0.2087 1.3314 C.2 1 UNL111111111 1.4315 13 C -2.2491 1.8776 0.2327 C.ar 1 UNL111111111 -0.0176 14 C -0.0706 3.1903 0.4547 C.3 1 UNL111111111 -0.6578 15 C -0.0626 1.0153 -1.6654 C.2 1 UNL111111111 0.4922 16 C -3.0401 -2.8403 1.1391 C.3 1 UNL111111111 -1.1768 17 C -1.2655 -3.5587 2.7944 C.3 1 UNL111111111 -0.8279 18 C -1.4462 -4.7045 0.5539 C.3 1 UNL111111111 -0.6005 19 C 4.3537 -0.0911 2.6364 C.3 1 UNL111111111 -0.8242 20 C 3.7970 2.2752 1.9456 C.3 1 UNL111111111 -1.0794 21 C 5.2231 0.8350 0.4512 C.3 1 UNL111111111 -0.7543 22 C 0.6458 -0.0124 -2.4871 C.ar 1 UNL111111111 0.8227 23 C -2.8920 0.7613 -0.3122 C.ar 1 UNL111111111 0.2191 24 C -2.9951 3.0213 0.5234 C.ar 1 UNL111111111 -0.0497 25 C -4.2527 0.8022 -0.5984 C.ar 1 UNL111111111 -0.2731 26 C -4.3590 3.0579 0.2411 C.ar 1 UNL111111111 -0.2554 27 C -0.0521 -1.1137 -2.9800 C.ar 1 UNL111111111 -0.1332 28 C 1.9880 0.1806 -2.8061 C.ar 1 UNL111111111 -0.6685 29 C -4.9884 1.9542 -0.3299 C.ar 1 UNL111111111 -0.0224 30 C 0.6063 -2.0322 -3.7965 C.ar 1 UNL111111111 0.0641 31 C 2.6405 -0.7414 -3.6216 C.ar 1 UNL111111111 0.2685 32 C 1.9494 -1.8462 -4.1191 C.ar 1 UNL111111111 -0.4944 33 H 1.0188 -0.9756 -0.4043 H 1 UNL111111111 0.1360 34 H -0.6920 1.4776 1.6489 H 1 UNL111111111 0.4840 35 H -0.0596 -2.7770 -0.0350 H 1 UNL111111111 0.1434 36 H 2.9673 0.1881 -0.2643 H 1 UNL111111111 0.4872 37 H 1.0178 3.0772 0.5136 H 1 UNL111111111 0.2196 38 H -0.3719 3.8585 1.2667 H 1 UNL111111111 0.2469 39 H -0.2998 3.6824 -0.5008 H 1 UNL111111111 0.1057 40 H -3.1868 -1.8994 1.6949 H 1 UNL111111111 0.2789 41 H -3.2732 -2.6323 0.0900 H 1 UNL111111111 0.2385 42 H -3.7728 -3.5572 1.5186 H 1 UNL111111111 0.2403 43 H -1.4125 -2.6197 3.3520 H 1 UNL111111111 0.2691 44 H -0.2224 -3.8546 2.9370 H 1 UNL111111111 0.1598 45 H -1.9015 -4.3189 3.2551 H 1 UNL111111111 0.1498 46 H -1.6746 -4.5974 -0.5119 H 1 UNL111111111 0.0960 47 H -0.4318 -5.1046 0.6517 H 1 UNL111111111 0.1217 48 H -2.1299 -5.4593 0.9565 H 1 UNL111111111 0.1485 49 H 3.5496 -0.0473 3.3881 H 1 UNL111111111 0.2024 50 H 4.4352 -1.1352 2.3160 H 1 UNL111111111 0.1775 51 H 5.2846 0.1852 3.1371 H 1 UNL111111111 0.2297 52 H 2.9526 2.3044 2.6513 H 1 UNL111111111 0.3605 53 H 3.5543 2.9510 1.1195 H 1 UNL111111111 0.2359 54 H 4.6711 2.6758 2.4668 H 1 UNL111111111 0.2158 55 H 5.4263 -0.1734 0.0718 H 1 UNL111111111 0.1985 56 H 5.0306 1.4924 -0.4025 H 1 UNL111111111 0.2216 57 H 6.1430 1.1913 0.9300 H 1 UNL111111111 0.1452 58 H -2.3347 -0.1518 -0.5113 H 1 UNL111111111 0.1615 59 H -2.5180 3.8920 0.9682 H 1 UNL111111111 0.1051 60 H -4.7399 -0.0667 -1.0334 H 1 UNL111111111 0.1338 61 H -4.9336 3.9520 0.4692 H 1 UNL111111111 0.1439 62 H -1.1079 -1.2459 -2.7426 H 1 UNL111111111 0.0934 63 H 2.5165 1.0622 -2.4426 H 1 UNL111111111 0.1496 64 H -6.0490 1.9899 -0.5633 H 1 UNL111111111 0.0767 65 H 0.0678 -2.8916 -4.1920 H 1 UNL111111111 0.0804 66 H 3.6884 -0.5949 -3.8781 H 1 UNL111111111 0.0538 67 H 2.4576 -2.5585 -4.7677 H 1 UNL111111111 0.1970 @BOND 1 1 11 2 2 2 12 2 3 3 15 2 4 4 7 1 5 4 8 1 6 4 15 am 7 5 9 1 8 5 11 am 9 5 35 1 10 6 10 1 11 6 12 am 12 6 36 1 13 7 11 1 14 7 12 1 15 7 33 1 16 8 13 1 17 8 14 1 18 8 34 1 19 9 16 1 20 9 17 1 21 9 18 1 22 10 19 1 23 10 20 1 24 10 21 1 25 13 23 ar 26 13 24 ar 27 14 37 1 28 14 38 1 29 14 39 1 30 15 22 1 31 16 40 1 32 16 41 1 33 16 42 1 34 17 43 1 35 17 44 1 36 17 45 1 37 18 46 1 38 18 47 1 39 18 48 1 40 19 49 1 41 19 50 1 42 19 51 1 43 20 52 1 44 20 53 1 45 20 54 1 46 21 55 1 47 21 56 1 48 21 57 1 49 22 27 ar 50 22 28 ar 51 23 25 ar 52 23 58 1 53 24 26 ar 54 24 59 1 55 25 29 ar 56 25 60 1 57 26 29 ar 58 26 61 1 59 27 30 ar 60 27 62 1 61 28 31 ar 62 28 63 1 63 29 64 1 64 30 32 ar 65 30 65 1 66 31 32 ar 67 31 66 1 68 32 67 1