@MOLECULE l-leucyl-l-alanylglycyl-l-valine 55 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.1475 -1.8565 0.1458 O.2 1 LEU1111111111 -0.5283 2 O 6.1124 -0.1590 1.8537 O.3 4 VAL4444444444 -0.5589 3 O -0.1817 0.5768 0.1088 O.2 2 ALA2222222222 -0.5438 4 OXT 7.4948 -0.0709 0.1112 O.2 4 VAL4444444444 -0.4978 5 O 3.0436 -1.7176 -0.4516 O.2 3 GLY3333333333 -0.5343 6 N -2.5950 -0.3731 -0.5628 N.am 2 ALA2222222222 -0.6084 7 N 3.9193 0.0956 0.5838 N.am 4 VAL4444444444 -0.5783 8 N -5.1739 0.5027 -1.8451 N.3 1 LEU1111111111 -0.6498 9 N 0.6000 -1.4290 0.7924 N.am 3 GLY3333333333 -0.5604 10 CB -6.2003 -0.0151 0.3742 C.3 1 LEU1111111111 -0.3059 11 CG -7.2519 1.1066 0.4561 C.3 1 LEU1111111111 -0.0575 12 CA -4.9311 0.3899 -0.3911 C.3 1 LEU1111111111 -0.0196 13 CB 5.2046 1.4952 -1.0440 C.3 4 VAL4444444444 -0.0795 14 CA 5.0880 0.1428 -0.2802 C.3 4 VAL4444444444 0.0063 15 CD1 -6.6893 2.3520 1.1536 C.3 1 LEU1111111111 -0.4569 16 CD2 -8.4777 0.5977 1.2296 C.3 1 LEU1111111111 -0.4550 17 C -3.8867 -0.7404 -0.2385 C.2 1 LEU1111111111 0.5871 18 CA -1.4982 -1.3412 -0.5399 C.3 2 ALA2222222222 0.0413 19 CG1 5.3353 2.6818 -0.0885 C.3 4 VAL4444444444 -0.4568 20 CG2 3.9904 1.6907 -1.9529 C.3 4 VAL4444444444 -0.4504 21 C -0.2999 -0.6308 0.1085 C.2 2 ALA2222222222 0.5523 22 C 6.3680 -0.0428 0.5263 C.2 4 VAL4444444444 0.6015 23 CA 1.7736 -0.7999 1.3886 C.3 3 GLY3333333333 -0.1547 24 C 2.9541 -0.8711 0.4137 C.2 3 GLY3333333333 0.5621 25 CB -1.1394 -1.7759 -1.9646 C.3 2 ALA2222222222 -0.4718 26 HB1 -6.6428 -0.9205 -0.0992 H 1 LEU1111111111 0.1726 27 HB2 -5.9291 -0.3521 1.3931 H 1 LEU1111111111 0.1628 28 HG -7.5789 1.3807 -0.5736 H 1 LEU1111111111 0.1225 29 HA -4.5101 1.3319 0.0482 H 1 LEU1111111111 0.1337 30 HB 6.1271 1.4353 -1.6784 H 4 VAL4444444444 0.1569 31 HA 5.0341 -0.7016 -1.0355 H 4 VAL4444444444 0.2061 32 HD11 -6.2712 2.1066 2.1371 H 1 LEU1111111111 0.1503 33 HD12 -7.4721 3.1022 1.3107 H 1 LEU1111111111 0.1446 34 HD13 -5.9018 2.8281 0.5655 H 1 LEU1111111111 0.1372 35 HD21 -8.2274 0.3699 2.2736 H 1 LEU1111111111 0.1487 36 HD22 -9.2755 1.3436 1.2426 H 1 LEU1111111111 0.1421 37 HD23 -8.8877 -0.3128 0.7820 H 1 LEU1111111111 0.1467 38 HA -1.8094 -2.2343 0.0697 H 2 ALA2222222222 0.1864 39 H -2.3572 0.5509 -0.8906 H 2 ALA2222222222 0.3233 40 HG11 6.1806 2.5634 0.5994 H 4 VAL4444444444 0.1479 41 HG12 5.5077 3.6113 -0.6454 H 4 VAL4444444444 0.1548 42 HG13 4.4282 2.8368 0.5084 H 4 VAL4444444444 0.1474 43 HG21 3.8330 0.8366 -2.6219 H 4 VAL4444444444 0.1536 44 HG22 4.1049 2.5845 -2.5781 H 4 VAL4444444444 0.1498 45 HG23 3.0670 1.8168 -1.3753 H 4 VAL4444444444 0.1579 46 H 3.8764 0.7879 1.3155 H 4 VAL4444444444 0.3225 47 H1 -6.0958 0.8211 -2.0623 H 1 LEU1111111111 0.2631 48 H2 -4.4978 1.0896 -2.3009 H 1 LEU1111111111 0.2508 49 HA1 2.0358 -1.3233 2.3395 H 3 GLY3333333333 0.1727 50 HA2 1.5336 0.2581 1.6678 H 3 GLY3333333333 0.1889 51 HB1 -0.8837 -0.9127 -2.5918 H 2 ALA2222222222 0.1614 52 HB2 -0.2911 -2.4673 -1.9890 H 2 ALA2222222222 0.1586 53 HB3 -2.0012 -2.2783 -2.4346 H 2 ALA2222222222 0.1762 54 H 0.6676 -2.4212 0.6158 H 3 GLY3333333333 0.3220 55 H 6.9231 -0.2962 2.4014 H 4 VAL4444444444 0.3560 @BOND 1 1 17 2 2 2 22 1 3 2 55 1 4 3 21 2 5 4 22 2 6 5 24 2 7 6 17 am 8 6 18 1 9 6 39 1 10 7 14 1 11 7 24 am 12 7 46 1 13 8 12 1 14 8 47 1 15 8 48 1 16 9 21 am 17 9 23 1 18 9 54 1 19 10 11 1 20 10 12 1 21 10 26 1 22 10 27 1 23 11 15 1 24 11 16 1 25 11 28 1 26 12 17 1 27 12 29 1 28 13 14 1 29 13 19 1 30 13 20 1 31 13 30 1 32 14 22 1 33 14 31 1 34 15 32 1 35 15 33 1 36 15 34 1 37 16 35 1 38 16 36 1 39 16 37 1 40 18 21 1 41 18 25 1 42 18 38 1 43 19 40 1 44 19 41 1 45 19 42 1 46 20 43 1 47 20 44 1 48 20 45 1 49 23 24 1 50 23 49 1 51 23 50 1 52 25 51 1 53 25 52 1 54 25 53 1