@MOLECULE 5-[n-(2-methyl-2-propanyl)glycyl]-1,3-phenylene bis(3-methylbutanoate) 61 61 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7689 -1.6716 -0.0014 O.3 1 UNL1111111111111 -0.4146 2 O -0.4776 2.4716 0.2537 O.3 1 UNL1111111111111 -0.4138 3 O 1.8354 -2.7702 -1.4479 O.2 1 UNL1111111111111 -0.4421 4 O -3.7064 -0.5890 1.7484 O.2 1 UNL1111111111111 -0.4724 5 O 1.6272 2.7015 1.0516 O.2 1 UNL1111111111111 -0.4787 6 N 4.4087 -1.9872 -0.8785 N.3 1 UNL1111111111111 -0.5632 7 C 5.1246 -2.4579 0.3345 C.3 1 UNL1111111111111 0.2835 8 C 4.2066 -3.1606 1.3555 C.3 1 UNL1111111111111 -0.5117 9 C 5.8208 -1.2534 0.9956 C.3 1 UNL1111111111111 -0.4709 10 C 6.1917 -3.4589 -0.1594 C.3 1 UNL1111111111111 -0.4789 11 C 3.2865 -1.0679 -0.6357 C.3 1 UNL1111111111111 -0.2000 12 C 1.9309 -1.6876 -0.9195 C.2 1 UNL1111111111111 0.4296 13 C -6.0550 -1.5702 -0.0800 C.3 1 UNL1111111111111 -0.0407 14 C 0.8884 5.4010 -0.3436 C.3 1 UNL1111111111111 -0.0412 15 C 0.7158 -0.9212 -0.5275 C.ar 1 UNL1111111111111 -0.0763 16 C -4.9095 -2.3595 0.5898 C.3 1 UNL1111111111111 -0.3636 17 C 0.1765 4.6356 0.7925 C.3 1 UNL1111111111111 -0.3699 18 C 0.7726 0.4575 -0.3078 C.ar 1 UNL1111111111111 -0.2441 19 C -0.4785 -1.6216 -0.3847 C.ar 1 UNL1111111111111 -0.1926 20 C -1.6282 -0.9135 -0.0102 C.ar 1 UNL1111111111111 0.2660 21 C -0.3923 1.1141 0.0778 C.ar 1 UNL1111111111111 0.2742 22 C -5.6495 -1.1374 -1.4908 C.3 1 UNL1111111111111 -0.4590 23 C -7.3124 -2.4427 -0.1302 C.3 1 UNL1111111111111 -0.4559 24 C 0.3222 4.9821 -1.7026 C.3 1 UNL1111111111111 -0.4609 25 C 0.7098 6.9067 -0.1308 C.3 1 UNL1111111111111 -0.4550 26 C -1.6158 0.4535 0.2352 C.ar 1 UNL1111111111111 -0.2742 27 C -3.7825 -1.4248 0.8942 C.2 1 UNL1111111111111 0.6190 28 C 0.5817 3.1971 0.7414 C.2 1 UNL1111111111111 0.6253 29 H 4.0988 -2.7741 -1.4549 H 1 UNL1111111111111 0.2815 30 H 3.6533 -3.9846 0.8925 H 1 UNL1111111111111 0.1541 31 H 4.7882 -3.5773 2.1833 H 1 UNL1111111111111 0.1511 32 H 3.4732 -2.4724 1.7861 H 1 UNL1111111111111 0.1507 33 H 5.1103 -0.5872 1.4942 H 1 UNL1111111111111 0.1458 34 H 6.3535 -0.6593 0.2416 H 1 UNL1111111111111 0.1606 35 H 6.5484 -1.5791 1.7435 H 1 UNL1111111111111 0.1428 36 H 6.7863 -3.0208 -0.9712 H 1 UNL1111111111111 0.1603 37 H 6.8779 -3.7334 0.6461 H 1 UNL1111111111111 0.1473 38 H 5.7391 -4.3792 -0.5407 H 1 UNL1111111111111 0.1465 39 H 3.4351 -0.2013 -1.3323 H 1 UNL1111111111111 0.1733 40 H 3.3135 -0.6384 0.3906 H 1 UNL1111111111111 0.1708 41 H -6.2719 -0.6599 0.5346 H 1 UNL1111111111111 0.1449 42 H 1.9811 5.1588 -0.3119 H 1 UNL1111111111111 0.1448 43 H -4.5850 -3.1965 -0.0648 H 1 UNL1111111111111 0.1848 44 H -5.2602 -2.8259 1.5353 H 1 UNL1111111111111 0.1784 45 H -0.9248 4.7567 0.7082 H 1 UNL1111111111111 0.1853 46 H 0.4576 5.0576 1.7811 H 1 UNL1111111111111 0.1798 47 H 1.7029 1.0095 -0.4320 H 1 UNL1111111111111 0.1896 48 H -0.5278 -2.6947 -0.5741 H 1 UNL1111111111111 0.1947 49 H -6.4249 -0.5141 -1.9554 H 1 UNL1111111111111 0.1472 50 H -5.4856 -1.9987 -2.1490 H 1 UNL1111111111111 0.1517 51 H -4.7202 -0.5547 -1.4871 H 1 UNL1111111111111 0.1541 52 H -8.1379 -1.9148 -0.6228 H 1 UNL1111111111111 0.1496 53 H -7.1420 -3.3693 -0.6897 H 1 UNL1111111111111 0.1486 54 H -7.6556 -2.7173 0.8733 H 1 UNL1111111111111 0.1456 55 H 0.4275 3.9034 -1.8721 H 1 UNL1111111111111 0.1536 56 H -0.7450 5.2181 -1.7885 H 1 UNL1111111111111 0.1519 57 H 0.8373 5.4926 -2.5196 H 1 UNL1111111111111 0.1483 58 H 1.1685 7.2405 0.8066 H 1 UNL1111111111111 0.1460 59 H -0.3483 7.1901 -0.1040 H 1 UNL1111111111111 0.1485 60 H 1.1774 7.4771 -0.9424 H 1 UNL1111111111111 0.1500 61 H -2.5042 1.0016 0.5446 H 1 UNL1111111111111 0.2001 @BOND 1 1 20 1 2 1 27 1 3 2 21 1 4 2 28 1 5 3 12 2 6 4 27 2 7 5 28 2 8 6 7 1 9 6 11 1 10 6 29 1 11 7 8 1 12 7 9 1 13 7 10 1 14 8 30 1 15 8 31 1 16 8 32 1 17 9 33 1 18 9 34 1 19 9 35 1 20 10 36 1 21 10 37 1 22 10 38 1 23 11 12 1 24 11 39 1 25 11 40 1 26 12 15 1 27 13 16 1 28 13 22 1 29 13 23 1 30 13 41 1 31 14 17 1 32 14 24 1 33 14 25 1 34 14 42 1 35 15 18 ar 36 15 19 ar 37 16 27 1 38 16 43 1 39 16 44 1 40 17 28 1 41 17 45 1 42 17 46 1 43 18 21 ar 44 18 47 1 45 19 20 ar 46 19 48 1 47 20 26 ar 48 21 26 ar 49 22 49 1 50 22 50 1 51 22 51 1 52 23 52 1 53 23 53 1 54 23 54 1 55 24 55 1 56 24 56 1 57 24 57 1 58 25 58 1 59 25 59 1 60 25 60 1 61 26 61 1