@MOLECULE l-arginyl-l-valine 42 41 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.7534 2.2821 1.0229 O.2 1 ARG1111111111 -0.5451 2 O -1.3893 -1.8795 0.5532 O.3 2 VAL2222222222 -0.5770 3 OXT -3.3500 -1.8677 1.6040 O.2 2 VAL2222222222 -0.4971 4 N -1.5876 0.5406 -0.4108 N.am 2 VAL2222222222 -0.5972 5 N 0.3801 3.6447 -0.0594 N.3 1 ARG1111111111 -0.6181 6 NE 3.8919 -0.1823 -0.1819 N.pl3 1 ARG1111111111 -0.5691 7 NH1 5.5120 -1.8569 0.5406 N.pl3 1 ARG1111111111 -0.6739 8 NH2 5.9564 -0.3644 -1.2473 N.pl3 1 ARG1111111111 -0.6263 9 CB -3.7745 -0.3445 -1.1621 C.3 2 VAL2222222222 -0.0742 10 CA -2.8396 -0.0499 0.0467 C.3 2 VAL2222222222 0.0018 11 CA 0.2723 2.1948 -0.2884 C.3 1 ARG1111111111 -0.0112 12 CB 1.3995 1.4780 0.4772 C.3 1 ARG1111111111 -0.2808 13 C -1.0957 1.6822 0.1978 C.2 1 ARG1111111111 0.5254 14 CG 1.4932 -0.0066 0.1204 C.3 1 ARG1111111111 -0.2741 15 CG1 -5.2050 -0.5431 -0.6602 C.3 2 VAL2222222222 -0.4645 16 CG2 -3.3081 -1.5626 -1.9604 C.3 2 VAL2222222222 -0.4564 17 C -2.6041 -1.3324 0.8303 C.2 2 VAL2222222222 0.6137 18 CD 2.7997 -0.6235 0.6686 C.3 1 ARG1111111111 -0.0691 19 CZ 5.0284 -0.7950 -0.2597 C.cat 1 ARG1111111111 0.5051 20 HB -3.7462 0.5559 -1.8283 H 2 VAL2222222222 0.1542 21 HA -3.3597 0.6811 0.7442 H 2 VAL2222222222 0.2095 22 HA 0.3862 2.0159 -1.3901 H 1 ARG1111111111 0.1611 23 HB1 2.3649 1.9772 0.2222 H 1 ARG1111111111 0.1875 24 HB2 1.2756 1.6110 1.5678 H 1 ARG1111111111 0.1485 25 H -1.0021 -0.0379 -0.9971 H 2 VAL2222222222 0.3227 26 HG1 0.6324 -0.5661 0.5354 H 1 ARG1111111111 0.1470 27 HG2 1.4711 -0.1397 -0.9793 H 1 ARG1111111111 0.1500 28 HG11 -5.8843 -0.7926 -1.4833 H 2 VAL2222222222 0.1513 29 HG12 -5.5963 0.3609 -0.1780 H 2 VAL2222222222 0.1531 30 HG13 -5.2727 -1.3583 0.0743 H 2 VAL2222222222 0.1668 31 HG21 -3.3890 -2.4897 -1.3796 H 2 VAL2222222222 0.1526 32 HG22 -3.9180 -1.6981 -2.8619 H 2 VAL2222222222 0.1503 33 HG23 -2.2667 -1.4673 -2.2861 H 2 VAL2222222222 0.1464 34 HD1 2.6927 -1.7300 0.7024 H 1 ARG1111111111 0.1096 35 HD2 2.9726 -0.2824 1.7162 H 1 ARG1111111111 0.1415 36 H1 0.3437 3.8704 0.9258 H 1 ARG1111111111 0.2619 37 H2 -0.3574 4.1533 -0.5235 H 1 ARG1111111111 0.2537 38 H -1.2085 -2.7104 1.0572 H 2 VAL2222222222 0.3577 39 HH11 4.8217 -2.4057 1.0194 H 1 ARG1111111111 0.2883 40 HH12 6.2563 -2.4167 0.1619 H 1 ARG1111111111 0.2937 41 HH21 6.8974 -0.2212 -0.9169 H 1 ARG1111111111 0.2825 42 HH22 5.6283 0.4280 -1.7882 H 1 ARG1111111111 0.2981 @BOND 1 1 13 2 2 2 17 1 3 2 38 1 4 3 17 2 5 4 10 1 6 4 13 am 7 4 25 1 8 5 11 1 9 5 36 1 10 5 37 1 11 6 18 1 12 6 19 2 13 7 19 1 14 7 39 1 15 7 40 1 16 8 19 1 17 8 41 1 18 8 42 1 19 9 10 1 20 9 15 1 21 9 16 1 22 9 20 1 23 10 17 1 24 10 21 1 25 11 12 1 26 11 13 1 27 11 22 1 28 12 14 1 29 12 23 1 30 12 24 1 31 14 18 1 32 14 26 1 33 14 27 1 34 15 28 1 35 15 29 1 36 15 30 1 37 16 31 1 38 16 32 1 39 16 33 1 40 18 34 1 41 18 35 1