@MOLECULE l-phenylalanyl-l-leucine 42 42 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3934 0.4044 1.8593 O.3 2 LEU222222222 -0.5605 2 O -0.3271 3.1082 -0.3394 O.2 1 PHE111111111 -0.5502 3 OXT -3.5518 0.5064 1.3285 O.2 2 LEU222222222 -0.5099 4 N -0.4611 0.8587 -0.5499 N.am 2 LEU222222222 -0.5817 5 N 2.3704 3.2958 -0.5400 N.3 1 PHE111111111 -0.6133 6 CB -2.5635 -0.1315 -1.4274 C.3 2 LEU222222222 -0.3069 7 CG -2.1308 -1.6117 -1.3852 C.3 2 LEU222222222 -0.0532 8 CA -1.9109 0.8587 -0.4417 C.3 2 LEU222222222 0.0300 9 CA 1.7771 1.9489 -0.5006 C.3 1 PHE111111111 -0.0125 10 CD1 -0.7714 -1.8539 -2.0543 C.3 2 LEU222222222 -0.4611 11 CD2 -2.1385 -2.1923 0.0293 C.3 2 LEU222222222 -0.4715 12 C 0.2411 2.0369 -0.4223 C.2 1 PHE111111111 0.5272 13 CB 2.3454 1.1904 0.7168 C.3 1 PHE111111111 -0.3040 14 C -2.4057 0.5689 0.9697 C.2 2 LEU222222222 0.6110 15 CG 2.1934 -0.2908 0.5739 C.ar 1 PHE111111111 -0.0081 16 CD1 1.3805 -1.0010 1.4602 C.ar 1 PHE111111111 -0.1702 17 CD2 2.8647 -0.9731 -0.4443 C.ar 1 PHE111111111 -0.1774 18 CE1 1.2347 -2.3799 1.3258 C.ar 1 PHE111111111 -0.1406 19 CE2 2.7102 -2.3496 -0.5825 C.ar 1 PHE111111111 -0.1423 20 CZ 1.8946 -3.0553 0.3013 C.ar 1 PHE111111111 -0.1600 21 HB1 -2.3976 0.2529 -2.4562 H 2 LEU222222222 0.1588 22 HB2 -3.6641 -0.0863 -1.2638 H 2 LEU222222222 0.1654 23 HG -2.8996 -2.1708 -1.9856 H 2 LEU222222222 0.1341 24 HA -2.2887 1.9065 -0.6885 H 2 LEU222222222 0.2033 25 HA 2.0633 1.4223 -1.4513 H 1 PHE111111111 0.1644 26 H -0.0039 -0.0449 -0.4843 H 2 LEU222222222 0.3306 27 HD11 0.0691 -1.7208 -1.3623 H 2 LEU222222222 0.1458 28 HD12 -0.6105 -1.1864 -2.9070 H 2 LEU222222222 0.1487 29 HD13 -0.6988 -2.8828 -2.4254 H 2 LEU222222222 0.1443 30 HD21 -1.9935 -3.2785 0.0080 H 2 LEU222222222 0.1466 31 HD22 -3.0927 -2.0019 0.5371 H 2 LEU222222222 0.1582 32 HD23 -1.3361 -1.7777 0.6517 H 2 LEU222222222 0.1529 33 HB1 3.4264 1.4494 0.8215 H 1 PHE111111111 0.1856 34 HB2 1.8748 1.5620 1.6504 H 1 PHE111111111 0.1640 35 H1 2.0409 3.8193 -1.3403 H 1 PHE111111111 0.2592 36 H2 2.1363 3.8282 0.2880 H 1 PHE111111111 0.2598 37 HD1 0.8528 -0.4751 2.2565 H 1 PHE111111111 0.1664 38 HD2 3.5171 -0.4284 -1.1254 H 1 PHE111111111 0.1593 39 H -1.7131 0.2779 2.7884 H 2 LEU222222222 0.3545 40 HE1 0.6063 -2.9301 2.0244 H 1 PHE111111111 0.1522 41 HE2 3.2326 -2.8772 -1.3785 H 1 PHE111111111 0.1505 42 HZ 1.7782 -4.1314 0.1941 H 1 PHE111111111 0.1506 @BOND 1 1 14 1 2 1 39 1 3 2 12 2 4 3 14 2 5 4 8 1 6 4 12 am 7 4 26 1 8 5 9 1 9 5 35 1 10 5 36 1 11 6 7 1 12 6 8 1 13 6 21 1 14 6 22 1 15 7 10 1 16 7 11 1 17 7 23 1 18 8 14 1 19 8 24 1 20 9 12 1 21 9 13 1 22 9 25 1 23 10 27 1 24 10 28 1 25 10 29 1 26 11 30 1 27 11 31 1 28 11 32 1 29 13 15 1 30 13 33 1 31 13 34 1 32 15 16 ar 33 15 17 ar 34 16 18 ar 35 16 37 1 36 17 19 ar 37 17 38 1 38 18 20 ar 39 18 40 1 40 19 20 ar 41 19 41 1 42 20 42 1