@MOLECULE n-benzoyl-l-alpha-glutamyl-4-[difluoro(phosphono)methyl]-l-phenylalanyl-4-[difluoro(phosphono)methyl]-l-phenylalaninamide 88 90 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.5409 0.5266 0.7619 C.2 1 UNL1111111111 0.5440 2 O 1.2164 0.7009 -0.2342 O.2 1 UNL1111111111 -0.5657 3 C 1.9601 -1.4356 1.3735 C.3 1 UNL1111111111 -0.2826 4 C 2.2333 -2.5429 2.3931 C.3 1 UNL1111111111 -0.3409 5 C 3.7020 -2.8432 2.3968 C.2 1 UNL1111111111 0.6581 6 O 4.6096 -2.0851 2.6196 O.2 1 UNL1111111111 -0.5216 7 O 3.9257 -4.1452 2.1038 O.3 1 UNL1111111111 -0.5551 8 C -1.7369 -1.3270 1.9389 C.2 1 UNL1111111111 0.5997 9 O -1.8539 -0.3770 2.6982 O.2 1 UNL1111111111 -0.5764 10 C -2.8515 -2.2468 1.6225 C.ar 1 UNL1111111111 -0.1534 11 C -3.7558 -2.5310 2.6477 C.ar 1 UNL1111111111 -0.0855 12 C -3.0328 -2.7789 0.3456 C.ar 1 UNL1111111111 -0.1171 13 C -4.8383 -3.3703 2.3969 C.ar 1 UNL1111111111 -0.1645 14 C -4.1149 -3.6211 0.1022 C.ar 1 UNL1111111111 -0.1443 15 C -5.0153 -3.9160 1.1262 C.ar 1 UNL1111111111 -0.0947 16 N -0.5099 -1.5955 1.3633 N.am 1 UNL1111111111 -0.5927 17 C 0.6315 -0.7295 1.6560 C.3 1 UNL1111111111 0.0232 18 N -0.3379 1.4811 1.2079 N.am 1 UNL1111111111 -0.5858 19 C -0.5567 2.6908 0.4189 C.3 1 UNL1111111111 0.0200 20 C 0.5366 3.6930 0.8565 C.2 1 UNL1111111111 0.5651 21 O 0.3580 4.4903 1.7561 O.2 1 UNL1111111111 -0.5702 22 C -1.9513 3.2764 0.6926 C.3 1 UNL1111111111 -0.3157 23 C -3.0046 2.2952 0.2800 C.ar 1 UNL1111111111 0.0299 24 C -3.8170 1.6840 1.2354 C.ar 1 UNL1111111111 -0.1690 25 C -4.7763 0.7497 0.8485 C.ar 1 UNL1111111111 -0.1015 26 C -3.1582 1.9660 -1.0699 C.ar 1 UNL1111111111 -0.1858 27 C -4.1000 1.0197 -1.4579 C.ar 1 UNL1111111111 -0.1022 28 C -4.9103 0.4085 -0.4969 C.ar 1 UNL1111111111 -0.1113 29 C -5.9237 -0.6171 -0.9379 C.3 1 UNL1111111111 0.4057 30 F -5.4133 -1.4753 -1.8322 F 1 UNL1111111111 -0.1743 31 F -6.3495 -1.4077 0.0550 F 1 UNL1111111111 -0.1727 32 P -7.5434 -0.1318 -1.7338 P.3 1 UNL1111111111 0.2922 33 O -8.6021 -1.1257 -1.8016 O.2 1 UNL1111111111 -0.2336 34 O -8.0701 1.1894 -1.0130 O.3 1 UNL1111111111 -0.3587 35 O -6.8897 0.3798 -3.1036 O.3 1 UNL1111111111 -0.4432 36 N 1.7020 3.6071 0.1328 N.am 1 UNL1111111111 -0.5827 37 C 2.9153 4.3298 0.5246 C.3 1 UNL1111111111 0.0209 38 C 4.1378 3.8547 -0.2904 C.3 1 UNL1111111111 -0.3299 39 C 4.2482 2.3716 -0.4404 C.ar 1 UNL1111111111 0.0314 40 C 3.8323 1.7736 -1.6333 C.ar 1 UNL1111111111 -0.1856 41 C 3.9895 0.4045 -1.8255 C.ar 1 UNL1111111111 -0.0763 42 C 4.8038 1.5846 0.5695 C.ar 1 UNL1111111111 -0.1835 43 C 4.9731 0.2154 0.3777 C.ar 1 UNL1111111111 -0.1066 44 C 4.5752 -0.3736 -0.8243 C.ar 1 UNL1111111111 -0.1179 45 C 4.8017 -1.8430 -1.0713 C.3 1 UNL1111111111 0.4081 46 F 4.7755 -2.5770 0.0492 F 1 UNL1111111111 -0.1828 47 F 3.8465 -2.3995 -1.8272 F 1 UNL1111111111 -0.1730 48 P 6.3825 -2.4663 -1.8512 P.3 1 UNL1111111111 0.2951 49 O 6.7729 -3.8425 -1.5921 O.2 1 UNL1111111111 -0.2412 50 O 6.0029 -2.0444 -3.3468 O.3 1 UNL1111111111 -0.4318 51 O 7.5598 -1.4759 -1.4311 O.3 1 UNL1111111111 -0.3612 52 C 2.7621 5.8496 0.2428 C.2 1 UNL1111111111 0.5565 53 O 3.3618 6.4004 -0.6579 O.2 1 UNL1111111111 -0.5405 54 N 1.9961 6.5670 1.1261 N.am 1 UNL1111111111 -0.6679 55 H 1.9816 -1.8319 0.3363 H 1 UNL1111111111 0.1776 56 H 2.7798 -0.6765 1.3912 H 1 UNL1111111111 0.1874 57 H 1.9267 -2.2330 3.4160 H 1 UNL1111111111 0.1789 58 H 1.6371 -3.4517 2.1637 H 1 UNL1111111111 0.1820 59 H 4.8850 -4.3744 1.9933 H 1 UNL1111111111 0.3653 60 H -3.6130 -2.0858 3.6348 H 1 UNL1111111111 0.1687 61 H -2.3533 -2.5245 -0.4665 H 1 UNL1111111111 0.1529 62 H -5.5502 -3.5915 3.1902 H 1 UNL1111111111 0.1571 63 H -4.2672 -4.0380 -0.8933 H 1 UNL1111111111 0.1626 64 H -5.8692 -4.5639 0.9267 H 1 UNL1111111111 0.1562 65 H -0.3710 -2.3442 0.7034 H 1 UNL1111111111 0.3259 66 H 0.5851 -0.4117 2.7396 H 1 UNL1111111111 0.1849 67 H -0.9796 1.2907 1.9811 H 1 UNL1111111111 0.3585 68 H -0.4513 2.4585 -0.6794 H 1 UNL1111111111 0.1751 69 H -2.0410 3.5610 1.7656 H 1 UNL1111111111 0.1835 70 H -2.0684 4.2377 0.1472 H 1 UNL1111111111 0.1752 71 H -3.6953 1.9188 2.2933 H 1 UNL1111111111 0.1664 72 H -5.4043 0.2920 1.6151 H 1 UNL1111111111 0.1691 73 H -2.5355 2.4456 -1.8229 H 1 UNL1111111111 0.1563 74 H -4.1987 0.7665 -2.5168 H 1 UNL1111111111 0.1720 75 H -7.3735 1.9355 -1.0671 H 1 UNL1111111111 0.3123 76 H -7.5914 0.4277 -3.8378 H 1 UNL1111111111 0.3376 77 H 1.8366 2.7955 -0.4804 H 1 UNL1111111111 0.3484 78 H 3.1038 4.1797 1.6233 H 1 UNL1111111111 0.1639 79 H 4.1194 4.3417 -1.2979 H 1 UNL1111111111 0.1938 80 H 5.0555 4.2697 0.1816 H 1 UNL1111111111 0.1738 81 H 3.3892 2.3784 -2.4232 H 1 UNL1111111111 0.1575 82 H 3.6560 -0.0416 -2.7652 H 1 UNL1111111111 0.1677 83 H 5.1133 2.0394 1.5084 H 1 UNL1111111111 0.1581 84 H 5.4225 -0.3814 1.1799 H 1 UNL1111111111 0.1870 85 H 6.6141 -2.5145 -4.0115 H 1 UNL1111111111 0.3362 86 H 7.3269 -0.5107 -1.6743 H 1 UNL1111111111 0.3124 87 H 1.8514 7.5462 0.9792 H 1 UNL1111111111 0.3073 88 H 1.3727 6.0960 1.7646 H 1 UNL1111111111 0.3380 @BOND 1 1 2 2 2 1 17 1 3 1 18 am 4 3 4 1 5 3 17 1 6 3 55 1 7 3 56 1 8 4 5 1 9 4 57 1 10 4 58 1 11 5 6 2 12 5 7 1 13 7 59 1 14 8 9 2 15 8 10 1 16 8 16 am 17 10 11 ar 18 10 12 ar 19 11 13 ar 20 11 60 1 21 12 14 ar 22 12 61 1 23 13 15 ar 24 13 62 1 25 14 15 ar 26 14 63 1 27 15 64 1 28 16 17 1 29 16 65 1 30 17 66 1 31 18 19 1 32 18 67 1 33 19 20 1 34 19 22 1 35 19 68 1 36 20 21 2 37 20 36 am 38 22 23 1 39 22 69 1 40 22 70 1 41 23 24 ar 42 23 26 ar 43 24 25 ar 44 24 71 1 45 25 28 ar 46 25 72 1 47 26 27 ar 48 26 73 1 49 27 28 ar 50 27 74 1 51 28 29 1 52 29 30 1 53 29 31 1 54 29 32 1 55 32 33 2 56 32 34 1 57 32 35 1 58 34 75 1 59 35 76 1 60 36 37 1 61 36 77 1 62 37 38 1 63 37 52 1 64 37 78 1 65 38 39 1 66 38 79 1 67 38 80 1 68 39 40 ar 69 39 42 ar 70 40 41 ar 71 40 81 1 72 41 44 ar 73 41 82 1 74 42 43 ar 75 42 83 1 76 43 44 ar 77 43 84 1 78 44 45 1 79 45 46 1 80 45 47 1 81 45 48 1 82 48 49 2 83 48 50 1 84 48 51 1 85 50 85 1 86 51 86 1 87 52 53 2 88 52 54 am 89 54 87 1 90 54 88 1