@MOLECULE n-[(benzyloxy)carbonyl]-l-phenylalanylglycine 46 47 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.9584 0.3510 0.0454 O.3 1 UNL1111111111 -0.4049 2 O 1.8759 1.5445 -1.8190 O.2 1 UNL1111111111 -0.5037 3 O -0.2666 0.5515 1.5667 O.2 1 UNL1111111111 -0.5597 4 O 2.5603 3.3419 1.1992 O.3 1 UNL1111111111 -0.5463 5 OXT 3.9833 4.8432 0.3611 O.2 1 UNL1111111111 -0.4945 6 N 0.1078 -0.2637 -0.5603 N.am 1 UNL1111111111 -0.5767 7 N 3.3722 1.2914 -0.1210 N.am 1 UNL1111111111 -0.5617 8 CA 1.5472 -0.3612 -0.3562 C.3 1 UNL1111111111 0.0340 9 CB 2.1399 -1.5028 -1.2128 C.3 1 UNL1111111111 -0.3092 10 CG 1.9736 -2.8281 -0.5348 C.ar 1 UNL1111111111 0.0098 11 C 2.2250 0.9460 -0.8278 C.2 1 UNL1111111111 0.5370 12 CD1 2.9824 -3.3104 0.3032 C.ar 1 UNL1111111111 -0.1723 13 CD2 0.8204 -3.5881 -0.7392 C.ar 1 UNL1111111111 -0.1522 14 C -0.6606 0.2600 0.4581 C.2 0 ACE0 0.7148 15 CE1 2.8360 -4.5430 0.9348 C.ar 1 UNL1 -0.1395 16 CE2 0.6769 -4.8215 -0.1067 C.ar 1 UNL1 -0.1395 17 CA 4.0321 2.5458 -0.4623 C.3 1 UNL1 -0.1456 18 CZ 1.6827 -5.2990 0.7313 C.ar 1 UNL1 -0.1582 19 C -2.8492 0.8338 1.0696 C.3 1 UNL1 -0.0194 20 C -4.2046 0.6963 0.4515 C.ar 1 UNL1 -0.0418 21 C -4.7092 1.7284 -0.3412 C.ar 1 UNL1 -0.1296 22 C -4.9587 -0.4571 0.6690 C.ar 1 UNL1 -0.1337 23 C 3.5629 3.7178 0.3719 C.2 1 UNL1 0.6036 24 C -5.9885 1.6229 -0.8819 C.ar 1 UNL1 -0.1548 25 C -6.2392 -0.5569 0.1290 C.ar 1 UNL1 -0.1563 26 C -6.7585 0.4877 -0.6344 C.ar 1 UNL1 -0.1382 27 HA 1.7437 -0.5470 0.7391 H 1 UNL1 0.1869 28 HB1 3.2155 -1.3016 -1.4072 H 1 UNL1 0.1685 29 HB2 1.6756 -1.5080 -2.2236 H 1 UNL1 0.1704 30 H -0.2482 -0.3229 -1.5051 H 1 UNL1 0.3345 31 HD1 3.8852 -2.7261 0.4655 H 1 UNL1 0.1490 32 HD2 0.0275 -3.2141 -1.3846 H 1 UNL1 0.1571 33 H 3.4905 0.9775 0.8348 H 1 UNL1 0.3180 34 HE1 3.6221 -4.9187 1.5863 H 1 UNL1 0.1468 35 HE2 -0.2225 -5.4125 -0.2686 H 1 UNL1 0.1496 36 HA1 5.1363 2.4189 -0.3472 H 1 UNL1 0.1777 37 HA2 3.8648 2.7923 -1.5489 H 1 UNL1 0.2086 38 HZ 1.5664 -6.2593 1.2280 H 1 UNL1 0.1494 39 H -2.5732 1.8817 1.2960 H 1 UNL1 0.1472 40 H -2.7174 0.2234 1.9839 H 1 UNL1 0.1507 41 H -4.1041 2.6123 -0.5394 H 1 UNL1 0.1580 42 H -4.5488 -1.2799 1.2534 H 1 UNL1 0.1553 43 H -6.3862 2.4281 -1.4961 H 1 UNL1 0.1508 44 H -6.8368 -1.4491 0.3032 H 1 UNL1 0.1495 45 H -7.7654 0.4155 -1.0397 H 1 UNL1 0.1487 46 H 2.1703 4.0880 1.7209 H 1 UNL1 0.3618 @BOND 1 1 14 1 2 1 19 1 3 2 11 2 4 3 14 2 5 4 23 1 6 4 46 1 7 5 23 2 8 6 8 1 9 6 14 am 10 6 30 1 11 7 11 am 12 7 17 1 13 7 33 1 14 8 9 1 15 8 11 1 16 8 27 1 17 9 10 1 18 9 28 1 19 9 29 1 20 10 12 ar 21 10 13 ar 22 12 15 ar 23 12 31 1 24 13 16 ar 25 13 32 1 26 15 18 ar 27 15 34 1 28 16 18 ar 29 16 35 1 30 17 23 1 31 17 36 1 32 17 37 1 33 18 38 1 34 19 20 1 35 19 39 1 36 19 40 1 37 20 21 ar 38 20 22 ar 39 21 24 ar 40 21 41 1 41 22 25 ar 42 22 42 1 43 24 26 ar 44 24 43 1 45 25 26 ar 46 25 44 1 47 26 45 1