@MOLECULE (4s)-5-[4-(benzyloxy)phenyl]-4-[(7-phenylheptanoyl)amino]pentanoic acid 73 75 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.2928 -0.1665 0.7660 C.3 1 UNL1111111111 -0.2676 2 C -5.3341 0.7463 0.1079 C.3 1 UNL1111111111 -0.2629 3 C -6.5910 0.8653 0.9852 C.3 1 UNL1111111111 -0.2931 4 C -7.6109 1.7184 0.2949 C.ar 1 UNL1111111111 0.0214 5 C -8.5772 1.1337 -0.5267 C.ar 1 UNL1111111111 -0.1822 6 C -7.5901 3.1053 0.4595 C.ar 1 UNL1111111111 -0.1822 7 C -9.5152 1.9316 -1.1779 C.ar 1 UNL1111111111 -0.1341 8 C -8.5291 3.9005 -0.1930 C.ar 1 UNL1111111111 -0.1342 9 C -9.4931 3.3154 -1.0122 C.ar 1 UNL1111111111 -0.1677 10 C 0.2118 -2.3009 0.2685 C.2 1 UNL1111111111 0.5942 11 O 0.1625 -2.6479 1.4315 O.2 1 UNL1111111111 -0.5457 12 C -0.7722 -1.3482 -0.3697 C.3 1 UNL1111111111 -0.3671 13 C -2.0143 -1.2197 0.5195 C.3 1 UNL1111111111 -0.2480 14 C -3.0480 -0.2891 -0.1228 C.3 1 UNL1111111111 -0.2727 15 N 1.1970 -2.7992 -0.5672 N.am 1 UNL1111111111 -0.6254 16 C 2.2876 -3.6103 -0.0078 C.3 1 UNL1111111111 0.1100 17 C 3.6480 -3.1349 -0.5764 C.3 1 UNL1111111111 -0.3241 18 C 3.8110 -1.6554 -0.4268 C.ar 1 UNL1111111111 -0.0619 19 C 3.8551 -1.0789 0.8506 C.ar 1 UNL1111111111 -0.1005 20 C 3.9912 0.2908 0.9996 C.ar 1 UNL1111111111 -0.2307 21 C 3.9093 -0.8446 -1.5546 C.ar 1 UNL1111111111 -0.1159 22 C 4.0494 0.5382 -1.4298 C.ar 1 UNL1111111111 -0.2928 23 C 4.0907 1.0908 -0.1523 C.ar 1 UNL1111111111 0.2438 24 O 4.2152 2.4117 0.1383 O.3 1 UNL1111111111 -0.3256 25 C 2.0761 -5.0981 -0.3625 C.3 1 UNL1111111111 -0.2921 26 C 0.8965 -5.6765 0.4188 C.3 1 UNL1111111111 -0.3420 27 C 0.7456 -7.1282 0.1156 C.2 1 UNL1111111111 0.6482 28 O 1.4684 -7.8556 -0.5141 O.2 1 UNL1111111111 -0.5210 29 O -0.3981 -7.6110 0.6729 O.3 1 UNL1111111111 -0.5679 30 C 4.4580 3.3003 -0.9586 C.3 1 UNL1111111111 -0.0604 31 C 4.6184 4.6450 -0.3159 C.ar 1 UNL1111111111 -0.0259 32 C 5.5840 5.5317 -0.7939 C.ar 1 UNL1111111111 -0.1623 33 C 3.7973 5.0076 0.7522 C.ar 1 UNL1111111111 -0.1336 34 C 5.7226 6.7856 -0.2033 C.ar 1 UNL1111111111 -0.1440 35 C 3.9443 6.2610 1.3431 C.ar 1 UNL1111111111 -0.1466 36 C 4.9051 7.1503 0.8652 C.ar 1 UNL1111111111 -0.1479 37 H -4.7271 -1.1672 0.9500 H 1 UNL1111111111 0.1388 38 H -4.0122 0.2296 1.7601 H 1 UNL1111111111 0.1398 39 H -4.9058 1.7506 -0.0707 H 1 UNL1111111111 0.1404 40 H -5.6106 0.3561 -0.8900 H 1 UNL1111111111 0.1407 41 H -6.9993 -0.1420 1.2022 H 1 UNL1111111111 0.1500 42 H -6.3244 1.2906 1.9736 H 1 UNL1111111111 0.1504 43 H -8.5968 0.0545 -0.6596 H 1 UNL1111111111 0.1517 44 H -6.8383 3.5647 1.0972 H 1 UNL1111111111 0.1517 45 H -10.2670 1.4729 -1.8170 H 1 UNL1111111111 0.1472 46 H -8.5099 4.9805 -0.0621 H 1 UNL1111111111 0.1472 47 H -10.2263 3.9368 -1.5204 H 1 UNL1111111111 0.1486 48 H -0.2889 -0.3568 -0.4982 H 1 UNL1111111111 0.1693 49 H -1.0611 -1.6869 -1.3833 H 1 UNL1111111111 0.1608 50 H -2.4521 -2.2205 0.7031 H 1 UNL1111111111 0.1500 51 H -1.7212 -0.8474 1.5224 H 1 UNL1111111111 0.1581 52 H -2.6066 0.7107 -0.2932 H 1 UNL1111111111 0.1375 53 H -3.3355 -0.6697 -1.1209 H 1 UNL1111111111 0.1356 54 H 1.3078 -2.4749 -1.5110 H 1 UNL1111111111 0.3089 55 H 2.2903 -3.4889 1.1121 H 1 UNL1111111111 0.1691 56 H 4.4685 -3.6632 -0.0459 H 1 UNL1111111111 0.1637 57 H 3.7470 -3.4436 -1.6360 H 1 UNL1111111111 0.1519 58 H 3.7767 -1.7140 1.7338 H 1 UNL1111111111 0.1585 59 H 4.0264 0.7561 1.9824 H 1 UNL1111111111 0.1762 60 H 3.8833 -1.2862 -2.5495 H 1 UNL1111111111 0.1459 61 H 4.1246 1.1519 -2.3196 H 1 UNL1111111111 0.1602 62 H 2.9970 -5.6743 -0.1409 H 1 UNL1111111111 0.1600 63 H 1.9095 -5.2176 -1.4509 H 1 UNL1111111111 0.1557 64 H -0.0442 -5.1248 0.1865 H 1 UNL1111111111 0.1966 65 H 1.0217 -5.5227 1.5157 H 1 UNL1111111111 0.1944 66 H -0.5441 -8.5735 0.5099 H 1 UNL1111111111 0.3535 67 H 5.3663 2.9727 -1.4970 H 1 UNL1111111111 0.1401 68 H 3.5862 3.2803 -1.6414 H 1 UNL1111111111 0.1408 69 H 6.2300 5.2483 -1.6219 H 1 UNL1111111111 0.1509 70 H 3.0502 4.3075 1.1269 H 1 UNL1111111111 0.1657 71 H 6.4744 7.4798 -0.5746 H 1 UNL1111111111 0.1496 72 H 3.3068 6.5445 2.1784 H 1 UNL1111111111 0.1514 73 H 5.0180 8.1293 1.3266 H 1 UNL1111111111 0.1498 @BOND 1 1 2 1 2 1 14 1 3 1 37 1 4 1 38 1 5 2 3 1 6 2 39 1 7 2 40 1 8 3 4 1 9 3 41 1 10 3 42 1 11 4 5 ar 12 4 6 ar 13 5 7 ar 14 5 43 1 15 6 8 ar 16 6 44 1 17 7 9 ar 18 7 45 1 19 8 9 ar 20 8 46 1 21 9 47 1 22 10 11 2 23 10 12 1 24 10 15 am 25 12 13 1 26 12 48 1 27 12 49 1 28 13 14 1 29 13 50 1 30 13 51 1 31 14 52 1 32 14 53 1 33 15 16 1 34 15 54 1 35 16 17 1 36 16 25 1 37 16 55 1 38 17 18 1 39 17 56 1 40 17 57 1 41 18 19 ar 42 18 21 ar 43 19 20 ar 44 19 58 1 45 20 23 ar 46 20 59 1 47 21 22 ar 48 21 60 1 49 22 23 ar 50 22 61 1 51 23 24 1 52 24 30 1 53 25 26 1 54 25 62 1 55 25 63 1 56 26 27 1 57 26 64 1 58 26 65 1 59 27 28 2 60 27 29 1 61 29 66 1 62 30 31 1 63 30 67 1 64 30 68 1 65 31 32 ar 66 31 33 ar 67 32 34 ar 68 32 69 1 69 33 35 ar 70 33 70 1 71 34 36 ar 72 34 71 1 73 35 36 ar 74 35 72 1 75 36 73 1