@MOLECULE (4r)-6-phenyl-4-[(7-phenylheptanoyl)amino]hexanoic acid 62 63 0 0 0 SMALL GASTEIGER @ATOM 1 C -3.9644 -0.1922 0.7172 C.3 1 UNL1111111111 -0.2672 2 C -5.2536 0.3419 0.0848 C.3 1 UNL1111111111 -0.2629 3 C -6.4718 -0.0104 0.9536 C.3 1 UNL1111111111 -0.2927 4 C -7.7172 0.5204 0.3124 C.ar 1 UNL1111111111 0.0209 5 C -8.4239 -0.2636 -0.6022 C.ar 1 UNL1111111111 -0.1821 6 C -8.1688 1.8068 0.6155 C.ar 1 UNL1111111111 -0.1821 7 C -9.5755 0.2354 -1.2061 C.ar 1 UNL1111111111 -0.1341 8 C -9.3208 2.3032 0.0098 C.ar 1 UNL1111111111 -0.1341 9 C -10.0263 1.5185 -0.9008 C.ar 1 UNL1111111111 -0.1673 10 C 1.0157 -0.4090 0.4147 C.2 1 UNL1111111111 0.5904 11 O 1.0336 -0.7885 1.5683 O.2 1 UNL1111111111 -0.5431 12 C -0.2269 0.0909 -0.2861 C.3 1 UNL1111111111 -0.3681 13 C -1.4621 -0.3347 0.5154 C.3 1 UNL1111111111 -0.2518 14 C -2.7478 0.1727 -0.1438 C.3 1 UNL1111111111 -0.2732 15 N 2.1746 -0.4101 -0.3399 N.am 1 UNL1111111111 -0.6314 16 C 3.7468 -2.3153 -0.2949 C.3 1 UNL1111111111 -0.2983 17 C 3.4347 -0.8985 0.2391 C.3 1 UNL1111111111 0.1024 18 C 4.5834 0.0619 -0.1319 C.3 1 UNL1111111111 -0.3013 19 C 4.4084 1.4243 0.5544 C.3 1 UNL1111111111 -0.2874 20 C 5.5367 2.3315 0.1709 C.ar 1 UNL1111111111 0.0178 21 C 5.5062 3.0046 -1.0529 C.ar 1 UNL1111111111 -0.1828 22 C 6.6284 2.4964 1.0254 C.ar 1 UNL1111111111 -0.1779 23 C 6.5625 3.8352 -1.4188 C.ar 1 UNL1111111111 -0.1352 24 C 7.6836 3.3277 0.6563 C.ar 1 UNL1111111111 -0.1349 25 C 7.6528 3.9977 -0.5653 C.ar 1 UNL1111111111 -0.1647 26 C 2.7330 -3.3314 0.2311 C.3 1 UNL1111111111 -0.3442 27 C 3.0406 -4.6884 -0.3064 C.2 1 UNL1111111111 0.6474 28 O 4.0377 -5.0864 -0.8487 O.2 1 UNL1111111111 -0.5146 29 O 1.9836 -5.5229 -0.1104 O.3 1 UNL1111111111 -0.5687 30 H -4.0264 -1.2899 0.8400 H 1 UNL1111111111 0.1392 31 H -3.8430 0.2205 1.7369 H 1 UNL1111111111 0.1403 32 H -5.1921 1.4389 -0.0464 H 1 UNL1111111111 0.1409 33 H -5.3848 -0.0748 -0.9316 H 1 UNL1111111111 0.1405 34 H -6.5353 -1.1084 1.0923 H 1 UNL1111111111 0.1502 35 H -6.3441 0.4045 1.9737 H 1 UNL1111111111 0.1504 36 H -8.0742 -1.2647 -0.8436 H 1 UNL1111111111 0.1516 37 H -7.6200 2.4221 1.3248 H 1 UNL1111111111 0.1517 38 H -10.1248 -0.3787 -1.9169 H 1 UNL1111111111 0.1474 39 H -9.6707 3.3055 0.2491 H 1 UNL1111111111 0.1474 40 H -10.9264 1.9066 -1.3712 H 1 UNL1111111111 0.1488 41 H -0.1857 1.1966 -0.3673 H 1 UNL1111111111 0.1683 42 H -0.2913 -0.2937 -1.3216 H 1 UNL1111111111 0.1596 43 H -1.4872 -1.4376 0.6169 H 1 UNL1111111111 0.1502 44 H -1.3812 0.0461 1.5549 H 1 UNL1111111111 0.1600 45 H -2.7001 1.2689 -0.2830 H 1 UNL1111111111 0.1369 46 H -2.8565 -0.2587 -1.1562 H 1 UNL1111111111 0.1362 47 H 2.1911 -0.1240 -1.3013 H 1 UNL1111111111 0.3085 48 H 4.7714 -2.6144 0.0070 H 1 UNL1111111111 0.1643 49 H 3.7583 -2.3191 -1.4017 H 1 UNL1111111111 0.1540 50 H 3.3247 -0.9381 1.3593 H 1 UNL1111111111 0.1726 51 H 5.5527 -0.3823 0.1697 H 1 UNL1111111111 0.1564 52 H 4.6482 0.1927 -1.2280 H 1 UNL1111111111 0.1463 53 H 3.4327 1.8731 0.2766 H 1 UNL1111111111 0.1554 54 H 4.3549 1.2930 1.6547 H 1 UNL1111111111 0.1557 55 H 4.6572 2.8808 -1.7200 H 1 UNL1111111111 0.1486 56 H 6.6568 1.9754 1.9800 H 1 UNL1111111111 0.1535 57 H 6.5365 4.3586 -2.3725 H 1 UNL1111111111 0.1479 58 H 8.5338 3.4541 1.3239 H 1 UNL1111111111 0.1487 59 H 8.4769 4.6466 -0.8522 H 1 UNL1111111111 0.1502 60 H 1.6917 -3.0341 -0.0297 H 1 UNL1111111111 0.1911 61 H 2.7287 -3.3544 1.3455 H 1 UNL1111111111 0.1936 62 H 2.1365 -6.4416 -0.4382 H 1 UNL1111111111 0.3545 @BOND 1 1 2 1 2 1 14 1 3 1 30 1 4 1 31 1 5 2 3 1 6 2 32 1 7 2 33 1 8 3 4 1 9 3 34 1 10 3 35 1 11 4 5 ar 12 4 6 ar 13 5 7 ar 14 5 36 1 15 6 8 ar 16 6 37 1 17 7 9 ar 18 7 38 1 19 8 9 ar 20 8 39 1 21 9 40 1 22 10 11 2 23 10 12 1 24 10 15 am 25 12 13 1 26 12 41 1 27 12 42 1 28 13 14 1 29 13 43 1 30 13 44 1 31 14 45 1 32 14 46 1 33 15 17 1 34 15 47 1 35 16 17 1 36 16 26 1 37 16 48 1 38 16 49 1 39 17 18 1 40 17 50 1 41 18 19 1 42 18 51 1 43 18 52 1 44 19 20 1 45 19 53 1 46 19 54 1 47 20 21 ar 48 20 22 ar 49 21 23 ar 50 21 55 1 51 22 24 ar 52 22 56 1 53 23 25 ar 54 23 57 1 55 24 25 ar 56 24 58 1 57 25 59 1 58 26 27 1 59 26 60 1 60 26 61 1 61 27 28 2 62 27 29 1 63 29 62 1