@MOLECULE 4-amino-1,2,4,6-tetradeoxy-2-{[n-(phenoxyacetyl)-l-valyl]amino}-1,6-diphenyl-d-glucitol 78 80 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.1590 0.3733 1.2953 C.2 1 UNL1111111111 0.5809 2 O 2.4287 0.0725 2.2258 O.2 1 UNL1111111111 -0.5779 3 C 4.4131 -0.4419 1.0174 C.3 1 UNL1111111111 -0.1243 4 O 5.2116 0.3440 0.1432 O.3 1 UNL1111111111 -0.3597 5 C 6.4697 -0.1086 -0.1271 C.ar 1 UNL1111111111 0.2650 6 C 7.2130 0.8137 -0.8800 C.ar 1 UNL1111111111 -0.2464 7 C 8.5132 0.4823 -1.2337 C.ar 1 UNL1111111111 -0.0792 8 C 9.0622 -0.7440 -0.8462 C.ar 1 UNL1111111111 -0.2210 9 C 8.3030 -1.6460 -0.1061 C.ar 1 UNL1111111111 -0.0744 10 C 6.9923 -1.3388 0.2643 C.ar 1 UNL1111111111 -0.2904 11 N 2.8794 1.4344 0.4774 N.am 1 UNL1111111111 -0.5649 12 C 1.7333 2.3046 0.7541 C.3 1 UNL1111111111 -0.0082 13 C 0.4705 1.6783 0.1337 C.2 1 UNL1111111111 0.5705 14 O -0.1487 2.1471 -0.8129 O.2 1 UNL1111111111 -0.6067 15 C 2.0110 3.7440 0.2496 C.3 1 UNL1111111111 -0.0627 16 C 2.2115 3.8214 -1.2639 C.3 1 UNL1111111111 -0.4552 17 C 0.8551 4.6497 0.6833 C.3 1 UNL1111111111 -0.4565 18 C -7.9034 0.8092 -0.6477 C.ar 1 UNL1111111111 -0.1778 19 C -9.1856 0.9722 -0.1316 C.ar 1 UNL1111111111 -0.1305 20 C -9.8569 -0.1121 0.4331 C.ar 1 UNL1111111111 -0.1674 21 C -9.2403 -1.3603 0.4851 C.ar 1 UNL1111111111 -0.1337 22 C -7.9547 -1.5264 -0.0258 C.ar 1 UNL1111111111 -0.1963 23 C -7.2833 -0.4424 -0.5949 C.ar 1 UNL1111111111 0.0166 24 C -5.9021 -0.6133 -1.1353 C.3 1 UNL1111111111 -0.3577 25 C -4.8634 -0.1922 -0.0848 C.3 1 UNL1111111111 0.1606 26 O -4.7677 -1.1977 0.9125 O.3 1 UNL1111111111 -0.5847 27 C -3.4347 -0.1336 -0.6767 C.3 1 UNL1111111111 -0.0342 28 N -3.4174 0.8022 -1.8207 N.3 1 UNL1111111111 -0.6308 29 C -2.4399 0.2990 0.4457 C.3 1 UNL1111111111 0.0892 30 O -2.4589 1.6982 0.5132 O.3 1 UNL1111111111 -0.5797 31 C -1.0257 -0.2637 0.1132 C.3 1 UNL1111111111 0.0309 32 C -0.9157 -1.7237 0.5999 C.3 1 UNL1111111111 -0.3273 33 C 0.3759 -2.3409 0.1596 C.ar 1 UNL1111111111 0.0158 34 C 0.6456 -2.4953 -1.2035 C.ar 1 UNL1111111111 -0.1700 35 C 1.8535 -3.0480 -1.6179 C.ar 1 UNL1111111111 -0.1356 36 C 2.7894 -3.4745 -0.6758 C.ar 1 UNL1111111111 -0.1692 37 C 2.5150 -3.3384 0.6831 C.ar 1 UNL1111111111 -0.1560 38 C 1.3174 -2.7601 1.1010 C.ar 1 UNL1111111111 -0.1600 39 N 0.0342 0.5326 0.7414 N.am 1 UNL1111111111 -0.5740 40 H 4.9489 -0.6339 1.9678 H 1 UNL1111111111 0.1695 41 H 4.1470 -1.3997 0.5232 H 1 UNL1111111111 0.1716 42 H 6.7693 1.7616 -1.1722 H 1 UNL1111111111 0.1711 43 H 9.1111 1.1842 -1.8163 H 1 UNL1111111111 0.1516 44 H 10.0824 -0.9917 -1.1291 H 1 UNL1111111111 0.1559 45 H 8.7317 -2.6046 0.1866 H 1 UNL1111111111 0.1479 46 H 6.4138 -2.0538 0.8391 H 1 UNL1111111111 0.1650 47 H 3.4595 1.6632 -0.3204 H 1 UNL1111111111 0.3368 48 H 1.5731 2.3529 1.8743 H 1 UNL1111111111 0.1825 49 H 2.9499 4.0942 0.7518 H 1 UNL1111111111 0.1397 50 H 1.2957 3.5314 -1.8047 H 1 UNL1111111111 0.1829 51 H 2.4551 4.8433 -1.5757 H 1 UNL1111111111 0.1459 52 H 3.0163 3.1733 -1.6200 H 1 UNL1111111111 0.1331 53 H 0.6934 4.6286 1.7659 H 1 UNL1111111111 0.1447 54 H 1.0415 5.6911 0.3978 H 1 UNL1111111111 0.1503 55 H -0.0880 4.3527 0.2010 H 1 UNL1111111111 0.1690 56 H -7.3828 1.6563 -1.0897 H 1 UNL1111111111 0.1566 57 H -9.6674 1.9475 -0.1724 H 1 UNL1111111111 0.1481 58 H -10.8620 0.0172 0.8280 H 1 UNL1111111111 0.1488 59 H -9.7642 -2.2080 0.9222 H 1 UNL1111111111 0.1475 60 H -7.4794 -2.5044 0.0101 H 1 UNL1111111111 0.1525 61 H -5.7092 -1.6612 -1.4443 H 1 UNL1111111111 0.1666 62 H -5.7572 -0.0177 -2.0654 H 1 UNL1111111111 0.1889 63 H -5.1370 0.7654 0.4106 H 1 UNL1111111111 0.1325 64 H -5.6430 -1.3579 1.3188 H 1 UNL1111111111 0.3281 65 H -3.1676 -1.1505 -1.0618 H 1 UNL1111111111 0.1563 66 H -3.8094 1.6995 -1.5593 H 1 UNL1111111111 0.2542 67 H -2.4678 0.9738 -2.1262 H 1 UNL1111111111 0.2560 68 H -2.7842 -0.0143 1.4570 H 1 UNL1111111111 0.1692 69 H -1.8055 2.0991 -0.1039 H 1 UNL1111111111 0.3495 70 H -0.8726 -0.2241 -1.0027 H 1 UNL1111111111 0.1556 71 H -1.0323 -1.7654 1.7038 H 1 UNL1111111111 0.1681 72 H -1.7730 -2.3151 0.2087 H 1 UNL1111111111 0.1759 73 H -0.0863 -2.1788 -1.9446 H 1 UNL1111111111 0.1547 74 H 2.0670 -3.1515 -2.6802 H 1 UNL1111111111 0.1493 75 H 3.7243 -3.9222 -1.0038 H 1 UNL1111111111 0.1489 76 H 3.2313 -3.6886 1.4232 H 1 UNL1111111111 0.1477 77 H 1.1245 -2.6311 2.1656 H 1 UNL1111111111 0.1607 78 H 0.5435 0.1201 1.5227 H 1 UNL1111111111 0.3498 @BOND 1 1 2 2 2 1 3 1 3 3 40 1 4 3 41 1 5 4 5 1 6 4 3 1 7 5 6 ar 8 6 7 ar 9 6 42 1 10 7 43 1 11 8 7 ar 12 8 44 1 13 9 8 ar 14 9 45 1 15 10 9 ar 16 10 5 ar 17 10 46 1 18 11 1 am 19 11 47 1 20 12 11 1 21 12 48 1 22 13 39 am 23 13 12 1 24 14 13 2 25 15 12 1 26 15 16 1 27 15 49 1 28 16 50 1 29 16 51 1 30 16 52 1 31 17 15 1 32 17 53 1 33 17 54 1 34 17 55 1 35 18 23 ar 36 18 56 1 37 19 18 ar 38 19 57 1 39 20 19 ar 40 20 21 ar 41 20 58 1 42 21 22 ar 43 21 59 1 44 22 23 ar 45 22 60 1 46 23 24 1 47 24 25 1 48 24 61 1 49 24 62 1 50 25 27 1 51 25 63 1 52 26 25 1 53 26 64 1 54 27 28 1 55 27 29 1 56 27 65 1 57 28 66 1 58 28 67 1 59 29 31 1 60 29 30 1 61 29 68 1 62 30 69 1 63 31 32 1 64 31 39 1 65 31 70 1 66 32 33 1 67 32 71 1 68 32 72 1 69 33 38 ar 70 34 35 ar 71 34 33 ar 72 34 73 1 73 35 36 ar 74 35 74 1 75 36 37 ar 76 36 75 1 77 37 76 1 78 38 37 ar 79 38 77 1 80 39 78 1