@MOLECULE n~2~-{(carboxymethyl)[4-(phosphonooxy)benzyl]carbamoyl}-n-(3-cyclohexylpropyl)-n-methyl-l-alpha-glutamine 77 78 0 0 0 SMALL GASTEIGER @ATOM 1 C -6.1017 0.9646 -0.0473 C.ar 1 UNL1111111111 0.3092 2 C -0.9179 -1.9738 -3.1797 C.2 1 UNL1111111111 0.5965 3 C -0.8019 -1.1825 -0.0396 C.2 1 UNL1111111111 0.7266 4 C 1.5144 -0.8205 0.6661 C.3 1 UNL1111111111 0.0305 5 C 2.3567 -2.1113 0.7319 C.3 1 UNL1111111111 -0.2854 6 C 1.4930 -3.3066 1.1349 C.3 1 UNL1111111111 -0.3427 7 C 2.3294 -4.3447 1.8048 C.2 1 UNL1111111111 0.6538 8 C -6.0639 0.3286 -1.2946 C.ar 1 UNL1111111111 -0.2503 9 C 2.4441 0.3510 0.2938 C.2 1 UNL1111111111 0.5299 10 C 3.2934 0.4720 2.6338 C.3 1 UNL1111111111 -0.2345 11 C 4.0447 2.0882 0.8901 C.3 1 UNL1111111111 -0.0664 12 C 5.4188 1.5271 0.4850 C.3 1 UNL1111111111 -0.3041 13 C 6.3945 2.6758 0.2175 C.3 1 UNL1111111111 -0.2956 14 C 7.7217 2.1611 -0.3674 C.3 1 UNL1111111111 -0.0895 15 C -5.0654 -0.6093 -1.5329 C.ar 1 UNL1111111111 -0.1188 16 C 8.5666 3.3485 -0.8666 C.3 1 UNL1111111111 -0.2786 17 C 9.8764 2.8430 -1.4841 C.3 1 UNL1111111111 -0.2644 18 C 10.6765 2.0227 -0.4638 C.3 1 UNL1111111111 -0.2643 19 C 9.8349 0.8565 0.0707 C.3 1 UNL1111111111 -0.2629 20 C 8.5226 1.3676 0.6799 C.3 1 UNL1111111111 -0.2776 21 C -4.1287 -0.9036 -0.5427 C.ar 1 UNL1111111111 -0.0867 22 C -4.1938 -0.2766 0.7035 C.ar 1 UNL1111111111 -0.0890 23 C -5.1880 0.6561 0.9684 C.ar 1 UNL1111111111 -0.2441 24 C -3.0214 -1.8827 -0.8078 C.3 1 UNL1111111111 -0.0629 25 C -1.4764 -0.7801 -2.4198 C.3 1 UNL1111111111 -0.1328 26 N 0.5111 -0.9247 -0.3923 N.am 1 UNL1111111111 -0.6211 27 N 3.1082 1.0267 1.2924 N.am 1 UNL1111111111 -0.4690 28 N -1.7700 -1.1374 -1.0460 N.am 1 UNL1111111111 -0.5053 29 O 0.2508 -1.6295 -3.7718 O.3 1 UNL1111111111 -0.5604 30 O -1.3743 -3.0781 -3.2743 O.2 1 UNL1111111111 -0.4852 31 O -1.1161 -1.4439 1.1126 O.2 1 UNL1111111111 -0.5856 32 O -8.5739 1.1788 1.9457 O.2 1 UNL1111111111 -0.2001 33 O 3.4076 -4.2305 2.3288 O.2 1 UNL1111111111 -0.5278 34 O 1.6966 -5.5472 1.7872 O.3 1 UNL1111111111 -0.5641 35 O 2.5282 0.7174 -0.8649 O.2 1 UNL1111111111 -0.5466 36 O -8.5447 3.5966 0.9222 O.3 1 UNL1111111111 -0.3398 37 O -9.3923 1.6817 -0.3871 O.3 1 UNL1111111111 -0.2818 38 O -6.9256 2.0492 0.0863 O.3 1 UNL1111111111 -0.3730 39 P -8.3831 2.0145 0.7847 P.3 1 UNL1111111111 0.3754 40 H 1.0054 -0.6336 1.6545 H 1 UNL1111111111 0.1857 41 H 2.8378 -2.3008 -0.2495 H 1 UNL1111111111 0.1642 42 H 3.1916 -1.9754 1.4525 H 1 UNL1111111111 0.1693 43 H 0.6599 -3.0006 1.8173 H 1 UNL1111111111 0.2097 44 H 0.9628 -3.7297 0.2529 H 1 UNL1111111111 0.1917 45 H -6.7960 0.5684 -2.0593 H 1 UNL1111111111 0.1639 46 H 2.3522 0.0468 3.0236 H 1 UNL1111111111 0.1530 47 H 4.0719 -0.3102 2.6546 H 1 UNL1111111111 0.1461 48 H 3.5940 1.2696 3.3361 H 1 UNL1111111111 0.1541 49 H 3.5957 2.6457 0.0301 H 1 UNL1111111111 0.1660 50 H 4.1440 2.8140 1.7260 H 1 UNL1111111111 0.1365 51 H 5.8130 0.8613 1.2733 H 1 UNL1111111111 0.1420 52 H 5.3076 0.8961 -0.4195 H 1 UNL1111111111 0.1594 53 H 5.9377 3.3964 -0.4889 H 1 UNL1111111111 0.1429 54 H 6.5828 3.2437 1.1471 H 1 UNL1111111111 0.1371 55 H 7.4999 1.4939 -1.2348 H 1 UNL1111111111 0.1380 56 H -5.0207 -1.1140 -2.4961 H 1 UNL1111111111 0.1463 57 H 7.9996 3.9344 -1.6118 H 1 UNL1111111111 0.1319 58 H 8.7833 4.0381 -0.0311 H 1 UNL1111111111 0.1356 59 H 9.6588 2.2260 -2.3758 H 1 UNL1111111111 0.1365 60 H 10.4804 3.6954 -1.8435 H 1 UNL1111111111 0.1289 61 H 11.6039 1.6409 -0.9275 H 1 UNL1111111111 0.1291 62 H 10.9978 2.6711 0.3720 H 1 UNL1111111111 0.1344 63 H 9.6182 0.1402 -0.7436 H 1 UNL1111111111 0.1366 64 H 10.4084 0.2909 0.8270 H 1 UNL1111111111 0.1290 65 H 8.7357 2.0046 1.5574 H 1 UNL1111111111 0.1356 66 H 7.9271 0.5168 1.0557 H 1 UNL1111111111 0.1306 67 H -3.4463 -0.5172 1.4664 H 1 UNL1111111111 0.1748 68 H -5.2452 1.1430 1.9381 H 1 UNL1111111111 0.1724 69 H -3.2399 -2.5451 -1.6786 H 1 UNL1111111111 0.1563 70 H -2.8917 -2.5684 0.0699 H 1 UNL1111111111 0.1760 71 H -2.4196 -0.4404 -2.9231 H 1 UNL1111111111 0.1886 72 H -0.7835 0.0993 -2.4692 H 1 UNL1111111111 0.1897 73 H 0.8069 -0.6797 -1.3314 H 1 UNL1111111111 0.3452 74 H 0.6773 -2.3613 -4.2855 H 1 UNL1111111111 0.3610 75 H 2.1966 -6.2672 2.2406 H 1 UNL1111111111 0.3540 76 H -7.6452 4.0047 1.2066 H 1 UNL1111111111 0.3257 77 H -9.2665 2.3633 -1.1480 H 1 UNL1111111111 0.3109 @BOND 1 1 8 ar 2 1 23 ar 3 1 38 1 4 2 25 1 5 2 29 1 6 2 30 2 7 3 26 am 8 3 28 am 9 3 31 2 10 4 5 1 11 4 9 1 12 4 26 1 13 4 40 1 14 5 6 1 15 5 41 1 16 5 42 1 17 6 7 1 18 6 43 1 19 6 44 1 20 7 33 2 21 7 34 1 22 8 15 ar 23 8 45 1 24 9 27 am 25 9 35 2 26 10 27 1 27 10 46 1 28 10 47 1 29 10 48 1 30 11 12 1 31 11 27 1 32 11 49 1 33 11 50 1 34 12 13 1 35 12 51 1 36 12 52 1 37 13 14 1 38 13 53 1 39 13 54 1 40 14 16 1 41 14 20 1 42 14 55 1 43 15 21 ar 44 15 56 1 45 16 17 1 46 16 57 1 47 16 58 1 48 17 18 1 49 17 59 1 50 17 60 1 51 18 19 1 52 18 61 1 53 18 62 1 54 19 20 1 55 19 63 1 56 19 64 1 57 20 65 1 58 20 66 1 59 21 22 ar 60 21 24 1 61 22 23 ar 62 22 67 1 63 23 68 1 64 24 28 1 65 24 69 1 66 24 70 1 67 25 28 1 68 25 71 1 69 25 72 1 70 26 73 1 71 29 74 1 72 32 39 2 73 34 75 1 74 36 39 1 75 36 76 1 76 37 39 1 77 37 77 1 78 38 39 1