@MOLECULE n-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-isoleucine 66 66 0 0 0 SMALL GASTEIGER @ATOM 1 C -7.9782 -0.7192 0.6818 C.ar 0 UNK0 -0.1386 2 C -9.1162 -0.7560 -0.1210 C.ar 0 UNK0 -0.1554 3 C -9.0280 -1.2072 -1.4370 C.ar 0 UNK0 -0.1409 4 C -7.7981 -1.6094 -1.9560 C.ar 0 UNK0 -0.1532 5 C -6.6575 -1.5723 -1.1568 C.ar 0 UNK0 -0.1288 6 C -6.7516 -1.1403 0.1668 C.ar 0 UNK0 -0.0392 7 C -5.5345 -1.1392 1.0381 C.3 0 UNK0 -0.0216 8 O -4.8501 0.0785 0.6921 O.3 0 UNK0 -0.4177 9 C -3.6219 0.2003 1.2865 C.2 0 UNK0 0.7054 10 O -3.1308 -0.6486 1.9971 O.2 0 UNK0 -0.5555 11 N -3.1059 1.4611 1.0332 N.am 0 UNK0 -0.5176 12 C -1.6806 1.6642 1.3165 C.3 0 UNK0 -0.0336 13 P -0.6257 1.5083 -0.2352 P.3 0 UNK0 0.1986 14 O -1.0777 2.2698 -1.4066 O.2 0 UNK0 -0.3401 15 O -0.5533 -0.0436 -0.6006 O.3 0 UNK0 -0.3462 16 N 0.9247 1.8931 0.4357 N.3 0 UNK0 -0.4970 17 C 2.1720 1.5568 -0.3178 C.3 0 UNK0 0.0265 18 C 2.5477 0.1142 0.0951 C.2 0 UNK0 0.5826 19 O 1.7762 -0.6874 0.5893 O.2 0 UNK0 -0.5340 20 C 3.2701 2.5646 0.0848 C.3 0 UNK0 -0.3302 21 C 3.0575 3.9534 -0.5515 C.3 0 UNK0 -0.0513 22 C 4.0637 4.9414 0.0527 C.3 0 UNK0 -0.4604 23 C 3.2359 3.8989 -2.0719 C.3 0 UNK0 -0.4587 24 N 3.8303 -0.3020 -0.2228 N.am 1 ILE1 -0.6045 25 CA 4.2958 -1.6205 0.1972 C.3 1 ILE1 0.0034 26 C 5.2988 -1.4234 1.3263 C.2 1 ILE1 0.6085 27 O 5.8866 -0.4193 1.6295 O.2 1 ILE1 -0.5133 28 CB 4.9438 -2.3838 -0.9904 C.3 1 ILE1 -0.0973 29 CG1 5.2236 -3.8376 -0.5690 C.3 1 ILE1 -0.2684 30 CG2 6.2165 -1.6934 -1.4823 C.3 1 ILE1 -0.4593 31 CD1 5.3392 -4.7592 -1.7817 C.3 1 ILE1 -0.4353 32 OXT 5.4738 -2.5771 2.0136 O.3 1 ILE1 -0.5559 33 H -8.0475 -0.3603 1.7070 H 0 UNK0 0.1525 34 H -10.0737 -0.4305 0.2795 H 0 UNK0 0.1482 35 H -9.9186 -1.2414 -2.0608 H 0 UNK0 0.1476 36 H -7.7282 -1.9507 -2.9868 H 0 UNK0 0.1502 37 H -5.6932 -1.8753 -1.5644 H 0 UNK0 0.1606 38 H -5.7635 -1.1095 2.1193 H 0 UNK0 0.1404 39 H -4.8637 -1.9998 0.8416 H 0 UNK0 0.1537 40 H -3.5447 2.0296 0.3095 H 0 UNK0 0.3259 41 H -1.5602 2.6921 1.7701 H 0 UNK0 0.1735 42 H -1.3257 0.9116 2.0907 H 0 UNK0 0.2093 43 H 0.1476 -0.5068 0.0136 H 0 UNK0 0.3529 44 H 0.9710 2.8905 0.7590 H 0 UNK0 0.2862 45 H 2.0716 1.5550 -1.4418 H 0 UNK0 0.1675 46 H 3.3060 2.6552 1.1906 H 0 UNK0 0.1641 47 H 4.2732 2.1989 -0.2008 H 0 UNK0 0.1479 48 H 2.0249 4.3171 -0.3288 H 0 UNK0 0.1339 49 H 5.0977 4.6368 -0.1448 H 0 UNK0 0.1485 50 H 3.9361 5.9442 -0.3710 H 0 UNK0 0.1467 51 H 3.9470 5.0299 1.1376 H 0 UNK0 0.1439 52 H 4.2326 3.5475 -2.3540 H 0 UNK0 0.1432 53 H 2.4956 3.2421 -2.5452 H 0 UNK0 0.1540 54 H 3.1019 4.8916 -2.5181 H 0 UNK0 0.1482 55 H 4.5388 0.3318 -0.5637 H 1 ILE1 0.3196 56 HA 3.4171 -2.2250 0.5861 H 1 ILE1 0.2125 57 HB 4.1930 -2.3905 -1.8228 H 1 ILE1 0.1603 58 HG11 6.1473 -3.8894 0.0404 H 1 ILE1 0.1500 59 HG12 4.4191 -4.2076 0.0984 H 1 ILE1 0.1491 60 HG21 6.0023 -0.7316 -1.9601 H 1 ILE1 0.1437 61 HG22 6.9341 -1.5135 -0.6731 H 1 ILE1 0.1526 62 HG23 6.7330 -2.3101 -2.2291 H 1 ILE1 0.1548 63 HD11 4.4018 -4.7994 -2.3481 H 1 ILE1 0.1443 64 HD12 6.1268 -4.4318 -2.4689 H 1 ILE1 0.1415 65 HD13 5.5793 -5.7845 -1.4755 H 1 ILE1 0.1444 66 HXT 6.0981 -2.4970 2.7781 H 1 ILE1 0.3574 @BOND 1 1 2 ar 2 1 33 1 3 2 34 1 4 3 2 ar 5 3 35 1 6 4 3 ar 7 4 36 1 8 5 6 ar 9 5 4 ar 10 5 37 1 11 6 1 ar 12 7 6 1 13 7 38 1 14 7 39 1 15 8 7 1 16 9 8 1 17 10 9 2 18 11 9 am 19 11 40 1 20 12 11 1 21 12 41 1 22 12 42 1 23 13 12 1 24 13 14 2 25 13 15 1 26 15 43 1 27 16 13 1 28 16 44 1 29 17 16 1 30 17 18 1 31 17 45 1 32 18 19 2 33 18 24 am 34 20 17 1 35 20 46 1 36 20 47 1 37 21 20 1 38 21 22 1 39 21 48 1 40 22 49 1 41 22 50 1 42 22 51 1 43 23 21 1 44 23 52 1 45 23 53 1 46 23 54 1 47 24 25 1 48 24 55 1 49 25 26 1 50 25 56 1 51 26 27 2 52 26 32 1 53 28 25 1 54 28 57 1 55 29 28 1 56 29 58 1 57 29 59 1 58 30 28 1 59 30 60 1 60 30 61 1 61 30 62 1 62 31 29 1 63 31 63 1 64 31 64 1 65 31 65 1 66 32 66 1