@MOLECULE d-arginine, n2-l-tyrosyl-, trans- 47 47 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.3398 0.2988 1.2446 O.2 1 TYR1111111111 -0.5392 2 O -2.3117 -2.7423 -1.1831 O.3 2 ARG2222222222 -0.5600 3 OXT -2.4453 -3.8547 0.7442 O.2 2 ARG2222222222 -0.4893 4 OH 3.3464 2.1237 0.3918 O.3 1 TYR1111111111 -0.5232 5 N -1.6657 -0.4510 -0.0764 N.am 2 ARG2222222222 -0.5893 6 N -4.3527 1.8671 -0.8748 N.3 1 TYR1111111111 -0.6213 7 NE 3.2474 -1.9923 -0.8234 N.pl3 2 ARG2222222222 -0.5643 8 NH1 4.7375 -0.1963 -0.7651 N.pl3 2 ARG2222222222 -0.6421 9 NH2 3.5008 -0.6640 1.2107 N.pl3 2 ARG2222222222 -0.6608 10 CA -1.4322 -1.6301 0.7420 C.3 2 ARG2222222222 0.0300 11 CB 0.0748 -1.9350 0.8830 C.3 2 ARG2222222222 -0.2960 12 CA -2.9152 1.5772 -0.7642 C.3 1 TYR1111111111 -0.0069 13 CG 0.7830 -2.0646 -0.4684 C.3 2 ARG2222222222 -0.3085 14 CB -2.1800 2.8409 -0.2736 C.3 1 TYR1111111111 -0.2882 15 C -2.6716 0.4368 0.2414 C.2 1 TYR1111111111 0.5332 16 CD 2.1360 -2.8041 -0.3584 C.3 2 ARG2222222222 -0.0788 17 CG -0.7096 2.6148 -0.1242 C.ar 1 TYR1111111111 -0.0671 18 C -2.1173 -2.8629 0.1539 C.2 2 ARG2222222222 0.6020 19 CD1 -0.1105 2.7911 1.1288 C.ar 1 TYR1111111111 -0.0947 20 CD2 0.0693 2.2490 -1.2240 C.ar 1 TYR1111111111 -0.1104 21 CE1 1.2573 2.6184 1.2892 C.ar 1 TYR1111111111 -0.2477 22 CE2 1.4396 2.0486 -1.0842 C.ar 1 TYR1111111111 -0.2932 23 CZ 2.0147 2.2529 0.1711 C.ar 1 TYR1111111111 0.2866 24 CZ 3.7558 -1.0263 -0.1292 C.cat 2 ARG2222222222 0.4964 25 HA -1.8832 -1.4619 1.7714 H 2 ARG2222222222 0.2062 26 HB1 0.1922 -2.8665 1.4763 H 2 ARG2222222222 0.1666 27 HB2 0.5393 -1.1287 1.4846 H 2 ARG2222222222 0.1500 28 HA -2.5461 1.2937 -1.7842 H 1 TYR1111111111 0.1573 29 HG1 0.1387 -2.6027 -1.1938 H 2 ARG2222222222 0.1634 30 HG2 0.9449 -1.0657 -0.9207 H 2 ARG2222222222 0.1550 31 HB1 -2.6339 3.1880 0.6794 H 1 TYR1111111111 0.1644 32 HB2 -2.3738 3.6683 -0.9939 H 1 TYR1111111111 0.1764 33 H -1.1156 -0.3648 -0.9173 H 2 ARG2222222222 0.3231 34 HD1 2.3002 -3.2037 0.6654 H 2 ARG2222222222 0.1313 35 HD2 2.1270 -3.6984 -1.0317 H 2 ARG2222222222 0.1601 36 H1 -4.8653 1.0741 -1.2322 H 1 TYR1111111111 0.2567 37 H2 -4.7529 2.1288 0.0168 H 1 TYR1111111111 0.2662 38 HD1 -0.7219 3.0675 1.9890 H 1 TYR1111111111 0.1587 39 HD2 -0.3925 2.1307 -2.2042 H 1 TYR1111111111 0.1534 40 HE1 1.7437 2.7717 2.2487 H 1 TYR1111111111 0.1741 41 HE2 2.0499 1.7576 -1.9332 H 1 TYR1111111111 0.1680 42 H -2.7682 -3.5233 -1.5865 H 2 ARG2222222222 0.3565 43 HH 3.8177 1.6536 -0.3544 H 1 TYR1111111111 0.3637 44 HH11 4.9414 -0.4930 -1.7168 H 2 ARG2222222222 0.2970 45 HH12 5.5966 -0.1037 -0.2357 H 2 ARG2222222222 0.2852 46 HH21 2.6223 -0.9837 1.5852 H 2 ARG2222222222 0.2901 47 HH22 3.6880 0.2985 1.4626 H 2 ARG2222222222 0.3092 @BOND 1 1 15 2 2 2 18 1 3 2 42 1 4 3 18 2 5 4 23 1 6 4 43 1 7 5 10 1 8 5 15 am 9 5 33 1 10 6 12 1 11 6 36 1 12 6 37 1 13 7 16 1 14 7 24 2 15 8 24 1 16 8 44 1 17 8 45 1 18 9 24 1 19 9 46 1 20 9 47 1 21 10 11 1 22 10 18 1 23 10 25 1 24 11 13 1 25 11 26 1 26 11 27 1 27 12 14 1 28 12 15 1 29 12 28 1 30 13 16 1 31 13 29 1 32 13 30 1 33 14 17 1 34 14 31 1 35 14 32 1 36 16 34 1 37 16 35 1 38 17 19 ar 39 17 20 ar 40 19 21 ar 41 19 38 1 42 20 22 ar 43 20 39 1 44 21 23 ar 45 21 40 1 46 22 23 ar 47 22 41 1